Undecanoate
drug drugOn this page
Also known as FEMA NO. 3245N-undecanoic acidN-undecoic acidN-undecylic acidNSC-7885Undecanoic acidUndecanoic acid anionUndecanoicacidSID144208229
Summary
Undecanoate (CHEMBL108030) is a phase-3 clinical-stage small-molecule antifungal agent targeting GPR84.
At a glance
- Status: Max clinical phase 3 (not approved)
- Modality: Small molecule
- Targets: 1 (GPR84)
- Clinical trials: 3
- Chemistry: 186.29 Da · C11H22O2
Identifiers
Drug identity and classification
| Field | Value |
|---|---|
| ChEMBL ID | CHEMBL108030 |
| Name | Undecanoate |
| Type | Small molecule |
| Max phase | 3 |
| FDA approved | no |
| PubChem CID | 8180 |
| ChEBI | CHEBI:32368 |
| Molecular formula | C11H22O2 |
| Molecular weight | 186.29 |
| InChIKey | ZDPHROOEEOARMN-UHFFFAOYSA-N |
SMILES: CCCCCCCCCCC(=O)O
IUPAC name: undecanoic acid
ChEBI definition: A straight-chain, eleven-carbon saturated medium-chain fatty acid found in body fluids; the most fungitoxic of the C7:0 - C18:0 fatty acid series.
Pharmacological roles (ChEBI): antifungal agent.
Other ChEBI roles (chemical / environmental): human metabolite.
Also known as: FEMA NO. 3245, N-undecanoic acid, N-undecoic acid, N-undecylic acid, NSC-7885, Undecanoate, Undecanoic acid, Undecanoic acid anion, undecanoic acid, UNDECANOATE, Undecanoicacid, SID144208229
Patent coverage: 25,614 distinct patent families (81,591 SureChEMBL compound mentions), from 1 matched compound structure(s). 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 |
|---|---|---|---|---|---|
| GPR84 | GPR84 | Agonist | 5.1 | 0.2% | Q9NQS5 |
Broader ChEMBL bioactivity targets: 1 (assay-derived). Sample: G-protein coupled receptor 84.
Bioactivity
ChEMBL activities: 5 potent at pChembl ≥ 5 of 5 total. Top 100 by potency (10 = 0.1 nM, 6 = 1 µM):
| Target | pChembl | Type | Value | Unit | Activity ID |
|---|---|---|---|---|---|
| GPR84 | 6.97 | Ki | 108 | nM | CHEMBL_ACT_19003403 |
| GPR84 | 5.8 | EC50 | 1600 | nM | CHEMBL_ACT_19003479 |
| GPR84 | 5.36 | EC50 | 4360 | nM | CHEMBL_ACT_19003503 |
| GPR84 | 5.11 | EC50 | 7700 | nM | CHEMBL_ACT_22804572 |
| GPR84 | 5.07 | EC50 | 8600 | nM | CHEMBL_ACT_22804575 |
Target pathways
Aggregated over 1 target gene(s): GPR84.
Top Reactome pathways
2 total, by targets touching each:
| Pathway | Targets | Genes |
|---|---|---|
| G alpha (s) signalling events | 1 | GPR84 |
| Neutrophil degranulation | 1 | GPR84 |
Dominant GO biological processes
| GO term | Targets |
|---|---|
| neuropeptide signaling pathway | 1 |
| signal transduction | 1 |
| G protein-coupled receptor signaling pathway | 1 |
Indications & clinical
Indications
0 indication records carry no mapped disease name (EFO/MeSH-only); none shown.
Clinical trials
Total trials: 3.
Phase distribution
| Phase | Trials |
|---|---|
| PHASE1 | 2 |
| PHASE4 | 1 |
Top trials by phase / activity
| NCT | Phase | Status | Title |
|---|---|---|---|
| NCT01065220 | PHASE4 | COMPLETED | Sex Steroids and the Serotonin Transporter |
| NCT01382069 | PHASE1 | COMPLETED | Phase 1 Study of Dimethandrolone Undecanoate in Healthy Men |
| NCT02927210 | PHASE1 | COMPLETED | Injectable DMAU for Male Contraception in Healthy Male Volunteers (CCN015) |
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.
6 molecules share ≥1 primary target. Top 6 by shared-target count:
| Molecule | Source | Status | Shared targets |
|---|---|---|---|
| ARUNDINE | ChEMBL | Phase 3 | GPR84 |
| GLPG-1205 | ChEMBL | Phase 2 | GPR84 |
| OCTANOIC ACID | ChEMBL | Phase 2 | GPR84 |
| TRIDECANOATE | ChEMBL | Phase 2 | GPR84 |
| caprylic acid | PubChem | Approved | GPR84 |
| Lauric Acid | PubChem | Approved | GPR84 |