Benzyl Benzoate
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Also known as AscabiolBenzoic acidbenzyl esterBenzylis benzoasFEMA NO. 2138Mange treatmentNSC-8081ScabiozonScabancaVenzonateVanzoateBenzoic acid benzyl esterSID26748657SID26753738SID47193672SID144204925SID144213729SID144208535SID170465382
Summary
Benzyl Benzoate (CHEMBL1239) is an approved small-molecule scabicide (ATC P03AX01); indicated across 1 condition including parasitic infectious disease.
At a glance
- Status: Approved (max clinical phase 4)
- Modality: Small molecule
- ATC class: P03AX01
- Indications: 1 condition
- Clinical trials: 1
- Chemistry: 212.24 Da · C14H12O2
Identifiers
Drug identity and classification
| Field | Value |
|---|---|
| ChEMBL ID | CHEMBL1239 |
| Name | Benzyl Benzoate |
| Type | Small molecule |
| Max phase | 4 |
| FDA approved | no |
| PubChem CID | 2345 |
| ChEBI | CHEBI:41237 |
| ATC | P03AX01 |
| Molecular formula | C14H12O2 |
| Molecular weight | 212.24 |
| InChIKey | SESFRYSPDFLNCH-UHFFFAOYSA-N |
SMILES: C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2
IUPAC name: benzyl benzoate
ChEBI definition: A benzoate ester obtained by the formal condensation of benzoic acid with benzyl alcohol. It has been isolated from the plant species of the genus Polyalthia.
Pharmacological roles (ChEBI): scabicide, acaricide.
Other ChEBI roles (chemical / environmental): plant metabolite.
Also known as: Ascabiol, Benzoic acid, benzyl ester, Benzyl benzoate, Benzylis benzoas, FEMA NO. 2138, Mange treatment, NSC-8081, Scabiozon, Scabanca, Venzonate, Vanzoate
Patent coverage: 49,195 distinct patent families (162,300 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
Broader ChEMBL bioactivity targets: 7 (assay-derived). Sample: Tyrosyl-DNA phosphodiesterase 1, Ferritin light chain, Histone-lysine N-methyltransferase 2A, Beta-lactamase, Sodium-dependent noradrenaline transporter, Sodium-dependent dopamine transporter, Hormone-sensitive lipase.
Bioactivity
ChEMBL activities: 3 potent at pChembl ≥ 5 of 7 total. Top 30 by potency (10 = 0.1 nM, 6 = 1 µM):
| Target | pChembl | Type | Value | Unit | Activity ID |
|---|---|---|---|---|---|
| P15304 | 5.96 | IC50 | 1100 | nM | CHEMBL_ACT_2370403 |
| SLC6A3 | 5.06 | AC50 | 8730 | nM | CHEMBL_ACT_25124907 |
| SLC6A2 | 5 | AC50 | 9940 | nM | CHEMBL_ACT_25145948 |
Target pathways
No target-pathway data for this drug (no mapped target genes).
Indications & clinical
Indications
1 indication (1 at ChEMBL trial phase 4). Phase below is the highest clinical-trial phase recorded for this drug against each disease — not the molecule’s overall approval status (that is in the Summary).
| Indication | Trial phase | MONDO | EFO |
|---|---|---|---|
| parasitic infectious disease | 4 | MONDO:0005135 | EFO:0001067 |
Clinical trials
Total trials: 1.
Phase distribution
| Phase | Trials |
|---|---|
| PHASE4 | 1 |
Top trials by phase / activity
| NCT | Phase | Status | Title |
|---|---|---|---|
| NCT04205669 | PHASE4 | COMPLETED | Comparing the Effectiveness of Individual vs. Household Treatment for Scabies in Lambaréné, Gabon |
Clinical evidence (CIViC)
No CIViC predictive evidence (expected for non-precision-medicine drugs).
Pharmacology
Pharmacogenomics
No CPIC/DPWG dosing guideline or drug-level clinical/variant annotations in PharmGKB for this molecule.
Related molecules
Related molecules
No competitor molecules sharing a primary target (ChEMBL phase ≥2 or PubChem drug-class).
Related Atlas pages
- Diseases: parasitic infectious disease