Encequidar
drug drugOn this page
Also known as HM-30181HM30181HM30181AKPgp inhibitor hm30181ak
Summary
Encequidar (CHEMBL4594298) is a phase-3 clinical-stage small molecule targeting ABCB1; indicated across 4 conditions including angiosarcoma and breast neoplasm.
At a glance
- Status: Max clinical phase 3 (not approved)
- Modality: Small molecule
- Targets: 1 (ABCB1)
- Indications: 4 conditions
- Clinical trials: 4
- Chemistry: 688.7 Da · C38H36N6O7
Identifiers
Drug identity and classification
| Field | Value |
|---|---|
| ChEMBL ID | CHEMBL4594298 |
| Name | Encequidar |
| Type | Small molecule |
| Max phase | 3 |
| FDA approved | no |
| PubChem CID | 11399764 |
| Molecular formula | C38H36N6O7 |
| Molecular weight | 688.7 |
| InChIKey | AHJUHHDDCJQACA-UHFFFAOYSA-N |
SMILES: COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)N4N=C(N=N4)C5=CC(=C(C=C5NC(=O)C6=CC(=O)C7=CC=CC=C7O6)OC)OC)OC
IUPAC name: N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide
Also known as: Encequidar, HM-30181, HM30181, HM30181AK, Pgp inhibitor hm30181ak, ENCEQUIDAR
Parent form; salt/anhydrous children: CHEMBL4594299
Patent coverage: 82 distinct patent families (195 SureChEMBL compound mentions), from 2 matched compound structure(s). One matched structure accounts for 170 (87%) of the total. Mentions count patents naming the compound (not distinct inventions), so promiscuous / reference molecules inflate the mention figure — families are the dedup metric.
Targets
Targets
Primary targets (GtoPdb curated mechanism): the Cancer dependency column is the DepMap CRISPR fitness signal (% of screened cell lines dependent on the target).
| Gene | Target | Action | pAffinity | Cancer dependency | UniProt |
|---|---|---|---|---|---|
| ABCB1 | ABCB1 | Inhibition | 7.28 | 0.4% | P08183 |
Broader ChEMBL bioactivity targets: 1 (assay-derived). Sample: ATP-dependent translocase ABCB1.
Bioactivity
ChEMBL activities: 7 potent at pChembl ≥ 5 of 7 total. Top 100 by potency (10 = 0.1 nM, 6 = 1 µM):
| Target | pChembl | Type | Value | Unit | Activity ID |
|---|---|---|---|---|---|
| ABCB1 | 9.22 | IC50 | 0.6 | nM | CHEMBL_ACT_23227956 |
| ABCB1 | 8.31 | EC50 | 4.9 | nM | CHEMBL_ACT_23228003 |
| ABCB1 | 8.1 | EC50 | 7.9 | nM | CHEMBL_ACT_23227985 |
| ABCB1 | 7.96 | IC50 | 11 | nM | CHEMBL_ACT_24390940 |
| ABCB1 | 7.89 | EC50 | 13 | nM | CHEMBL_ACT_23227966 |
| ABCB1 | 7.8 | IC50 | 16 | nM | CHEMBL_ACT_23157954 |
| ABCB1 | 7.28 | IC50 | 53 | nM | CHEMBL_ACT_23228045 |
Target pathways
Aggregated over 1 target gene(s): ABCB1.
Top Reactome pathways
7 total, by targets touching each:
| Pathway | Targets | Genes |
|---|---|---|
| Abacavir transmembrane transport | 1 | ABCB1 |
| Abacavir ADME | 1 | ABCB1 |
| Transport of small molecules | 1 | ABCB1 |
| ABC-family protein mediated transport | 1 | ABCB1 |
| Drug ADME | 1 | ABCB1 |
| Atorvastatin ADME | 1 | ABCB1 |
| Prednisone ADME | 1 | ABCB1 |
Dominant GO biological processes
| GO term | Targets |
|---|---|
| G2/M transition of mitotic cell cycle | 1 |
| response to hypoxia | 1 |
| placenta development | 1 |
| xenobiotic metabolic process | 1 |
| female pregnancy | 1 |
| lactation | 1 |
| circadian rhythm | 1 |
| response to xenobiotic stimulus | 1 |
| hormone transport | 1 |
| response to progesterone | 1 |
| response to vitamin A | 1 |
| response to vitamin D | 1 |
| response to glucagon | 1 |
| maintenance of blood-brain barrier | 1 |
| cellular response to mycotoxin | 1 |
Indications & clinical
Indications
3 diseases in clinical trials (phase 1–3, investigational — not approved indications). Highest ChEMBL trial phase per disease; a non-cancer approved use is occasionally logged at phase 3 here.
| Disease (in trials) | Phase | MONDO | EFO |
|---|---|---|---|
| angiosarcoma | 2 | MONDO:0016982 | EFO:0003968 |
| breast neoplasm | 2 | MONDO:0021100 | EFO:0003869 |
| neoplasm | 1 | MONDO:0005070 | EFO:0000616 |
1 further indication record had no mapped disease name (EFO/MeSH-only) or were duplicates, and are omitted.
Clinical trials
Total trials: 4.
Phase distribution
| Phase | Trials |
|---|---|
| PHASE1 | 2 |
| PHASE3 | 1 |
| PHASE2 | 1 |
Top trials by phase / activity
| NCT | Phase | Status | Title |
|---|---|---|---|
| NCT06835400 | PHASE3 | NOT_YET_RECRUITING | Oral Paclitaxel + Encequidar vs IV Paclitaxel in Treatment of HER2 Negative Metastatic Breast Cancer |
| NCT01042379 | PHASE2 | RECRUITING | I-SPY TRIAL: Neoadjuvant and Personalized Adaptive Novel Agents to Treat Breast Cancer |
| NCT00954304 | PHASE1 | COMPLETED | Duration of P-glycoprotein Inhibition After Oral Administration of HM30181AK Tablet |
| NCT01491204 | PHASE1 | COMPLETED | Clinical Trial to Determine the Maximum Tolerated Dose and to Assess the Safety and Pharmacokinetic Profile of Oral Paclitaxel in Patients With Advanced Solid Cancer |
Clinical evidence (CIViC)
No CIViC predictive evidence (expected for non-precision-medicine drugs).
Pharmacology
Pharmacogenomics
No PharmGKB pharmacogenomic data curated for this drug.
Related molecules
Related molecules
Molecules sharing ≥1 of this drug’s curated primary targets, merged from two biobtree sources and ranked by shared-target count, then clinical phase: ChEMBL clinical-stage candidates (development phase ≥2) and PubChem drug-class bioactivity (approved / known drugs acting on the target). Deduplicated by drug name; the drug’s own salt forms are excluded. Note: for a drug with few primary targets a shared-target match can reflect off-target / promiscuous binding rather than the same therapeutic mechanism — the phase ordering surfaces bona-fide therapeutics first.
123 molecules share ≥1 primary target. Top 100 by shared-target count:
| Molecule | Source | Status | Shared targets |
|---|---|---|---|
| TRAMETINIB | ChEMBL + PubChem | Phase 4 (approved) | ABCB1 |
| AMIODARONE | ChEMBL | Phase 4 (approved) | ABCB1 |
| AMLODIPINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| ARIPIPRAZOLE | ChEMBL | Phase 4 (approved) | ABCB1 |
| ASTEMIZOLE | ChEMBL | Phase 4 (approved) | ABCB1 |
| ATAZANAVIR | ChEMBL | Phase 4 (approved) | ABCB1 |
| AZELASTINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| BROMOCRIPTINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| CARVEDILOL | ChEMBL | Phase 4 (approved) | ABCB1 |
| CERITINIB | ChEMBL | Phase 4 (approved) | ABCB1 |
| CHLORPROMAZINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| CLARITHROMYCIN | ChEMBL | Phase 4 (approved) | ABCB1 |
| CLOFAZIMINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| CLOTRIMAZOLE | ChEMBL | Phase 4 (approved) | ABCB1 |
| CYCLOSPORINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| DARUNAVIR | ChEMBL | Phase 4 (approved) | ABCB1 |
| DAUNORUBICIN | ChEMBL | Phase 4 (approved) | ABCB1 |
| DESLORATADINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| DILTIAZEM | ChEMBL | Phase 4 (approved) | ABCB1 |
| DIPYRIDAMOLE | ChEMBL | Phase 4 (approved) | ABCB1 |
| DONEPEZIL | ChEMBL | Phase 4 (approved) | ABCB1 |
| DOXORUBICIN | ChEMBL | Phase 4 (approved) | ABCB1 |
| EBASTINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| EMETINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| ERGOTAMINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| ERLOTINIB | ChEMBL | Phase 4 (approved) | ABCB1 |
| ERYTHROMYCIN | ChEMBL | Phase 4 (approved) | ABCB1 |
| ETRAVIRINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| FELODIPINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| FENTANYL | ChEMBL | Phase 4 (approved) | ABCB1 |
| FLUPHENAZINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| GEFITINIB | ChEMBL | Phase 4 (approved) | ABCB1 |
| HALOPERIDOL | ChEMBL | Phase 4 (approved) | ABCB1 |
| IMATINIB | ChEMBL | Phase 4 (approved) | ABCB1 |
| INDOMETHACIN | ChEMBL | Phase 4 (approved) | ABCB1 |
| ITRACONAZOLE | ChEMBL | Phase 4 (approved) | ABCB1 |
| IVERMECTIN | ChEMBL | Phase 4 (approved) | ABCB1 |
| KETOCONAZOLE | ChEMBL | Phase 4 (approved) | ABCB1 |
| LANSOPRAZOLE | ChEMBL | Phase 4 (approved) | ABCB1 |
| LEFAMULIN | ChEMBL | Phase 4 (approved) | ABCB1 |
| LONAFARNIB | ChEMBL | Phase 4 (approved) | ABCB1 |
| LOPERAMIDE | ChEMBL | Phase 4 (approved) | ABCB1 |
| LOPINAVIR | ChEMBL | Phase 4 (approved) | ABCB1 |
| LORATADINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| LOVASTATIN | ChEMBL | Phase 4 (approved) | ABCB1 |
| METHADONE | ChEMBL | Phase 4 (approved) | ABCB1 |
| MIBEFRADIL | ChEMBL | Phase 4 (approved) | ABCB1 |
| MICONAZOLE | ChEMBL | Phase 4 (approved) | ABCB1 |
| MIDOSTAURIN | ChEMBL | Phase 4 (approved) | ABCB1 |
| MITOXANTRONE | ChEMBL | Phase 4 (approved) | ABCB1 |
| NEFAZODONE | ChEMBL | Phase 4 (approved) | ABCB1 |
| NELFINAVIR | ChEMBL | Phase 4 (approved) | ABCB1 |
| NICARDIPINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| NINTEDANIB | ChEMBL | Phase 4 (approved) | ABCB1 |
| NISOLDIPINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| OMEPRAZOLE | ChEMBL | Phase 4 (approved) | ABCB1 |
| PACLITAXEL | ChEMBL | Phase 4 (approved) | ABCB1 |
| PANTOPRAZOLE | ChEMBL | Phase 4 (approved) | ABCB1 |
| PAROXETINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| PIMOZIDE | ChEMBL | Phase 4 (approved) | ABCB1 |
| PROGESTERONE | ChEMBL | Phase 4 (approved) | ABCB1 |
| PROPAFENONE | ChEMBL | Phase 4 (approved) | ABCB1 |
| PROPRANOLOL | ChEMBL | Phase 4 (approved) | ABCB1 |
| QUINACRINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| QUINIDINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| QUININE | ChEMBL | Phase 4 (approved) | ABCB1 |
| RESERPINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| RITONAVIR | ChEMBL | Phase 4 (approved) | ABCB1 |
| SAQUINAVIR | ChEMBL | Phase 4 (approved) | ABCB1 |
| SERTINDOLE | ChEMBL | Phase 4 (approved) | ABCB1 |
| SERTRALINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| SIMVASTATIN | ChEMBL | Phase 4 (approved) | ABCB1 |
| SIROLIMUS | ChEMBL | Phase 4 (approved) | ABCB1 |
| SPIRONOLACTONE | ChEMBL | Phase 4 (approved) | ABCB1 |
| SUFENTANIL | ChEMBL | Phase 4 (approved) | ABCB1 |
| SULFASALAZINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| TAMOXIFEN | ChEMBL | Phase 4 (approved) | ABCB1 |
| TERFENADINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| TRIFLUOPERAZINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| TRIFLUPROMAZINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| TROLEANDOMYCIN | ChEMBL | Phase 4 (approved) | ABCB1 |
| VERAPAMIL | ChEMBL | Phase 4 (approved) | ABCB1 |
| VINBLASTINE | ChEMBL | Phase 4 (approved) | ABCB1 |
| ALISPORIVIR | ChEMBL | Phase 3 | ABCB1 |
| CURCUMIN | ChEMBL | Phase 3 | ABCB1 |
| EPIGALOCATECHIN GALLATE | ChEMBL | Phase 3 | ABCB1 |
| INDINAVIR | ChEMBL | Phase 3 | ABCB1 |
| LINSITINIB | ChEMBL | Phase 3 | ABCB1 |
| MANIDIPINE 6300 | ChEMBL | Phase 3 | ABCB1 |
| NILVADIPINE | ChEMBL | Phase 3 | ABCB1 |
| NITRENDIPINE | ChEMBL | Phase 3 | ABCB1 |
| QUERCETIN | ChEMBL | Phase 3 | ABCB1 |
| RESVERATROL | ChEMBL | Phase 3 | ABCB1 |
| TARIQUIDAR | ChEMBL | Phase 3 | ABCB1 |
| VALSPODAR | ChEMBL | Phase 3 | ABCB1 |
| ZOSUQUIDAR | ChEMBL | Phase 3 | ABCB1 |
| ZOSUQUIDAR TRIHYDROCHLORIDE | ChEMBL | Phase 3 | ABCB1 |
| BAICALEIN | ChEMBL | Phase 2 | ABCB1 |
| BARNIDIPINE | ChEMBL | Phase 2 | ABCB1 |
| BMS-754807 | ChEMBL | Phase 2 | ABCB1 |
Related Atlas pages
- Genes: ABCB1
- In clinical trials for: angiosarcoma, breast neoplasm
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