Compound Detail
CHEMBL1239
BENZYL BENZOATE 💊 Approved Drug
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1239 |
| Name | BENZYL BENZOATE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | SESFRYSPDFLNCH-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
11
Known Names
1
Indications
1
Mechanisms
Molecular Properties
212.2
MW (Da)
3.04
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1976 |
| Availability | Discontinued |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Unknown | - | - | ✓ | ✓ |
Indications
Ectoparasitic Infestations
ATC Classification
P03AX01
benzyl benzoate
Level 1: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Level 2: ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
Activity Summary
IC50 4 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hormone-sensitive lipase CHEMBL5582 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Beta-lactamase CHEMBL2026 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hormone-sensitive lipase | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay | 18808096 |
| Beta-lactamase | IC50 | = | 90000.0 | nM | 4.05 | Compound was tested for the inhibition of beta-lactamase | 14521410 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21291237 | 10.1021/jf103937p | Tribolium castaneum | 10 |
| 12568544 | 10.1021/jf0208278 | Dermatophagoides farinae | 7 |
| 14521410 | 10.1021/jm030191r | Beta-lactamase | 4 |
| 14521410 | 10.1021/jm030191r | Chymotrypsinogen A | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2B | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 1A | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1 | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 3 |
| 31074269 | 10.1021/acs.jmedchem.9b00258 | NON-PROTEIN TARGET | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(1A) dopamine receptor | 3 |
| 25549554 | 10.1016/j.ejmech.2014.12.027 | No relevant target | 2 |
| 31411465 | 10.1021/acs.jmedchem.9b00723 | Kelch-like ECH-associated protein 1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Mu-type opioid receptor | 2 |
| 12568544 | 10.1021/jf0208278 | Dermatophagoides pteronyssinus | 2 |
| 18808096 | 10.1021/jm800718k | Hormone-sensitive lipase | 2 |
| 18672373 | 10.1016/j.bmc.2008.03.056 | Type-2 angiotensin II receptor | 2 |
| 18672373 | 10.1016/j.bmc.2008.03.056 | Type-1 angiotensin II receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Amine oxidase [flavin-containing] A | 2 |
| 14521410 | 10.1021/jm030191r | Malate dehydrogenase, cytoplasmic | 2 |
Data from ChEMBL 36 via Core Engine