Compound Detail
CHEMBL541
BENZOIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL541 |
| Name | BENZOIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPYMKLBDIGXBTP-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
5
Targets
28
Activities
3
Assay Types
0
PK Parameters
20
Publications
14
Known Names
1
Indications
1
Mechanisms
Molecular Properties
122.1
MW (Da)
1.38
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Unknown | - | - | ✓ | ✓ |
Indications
Urinary Tract Infections
Activity Summary
Ki 13 meas. best 8.72
IC50 12 meas. best 6.7
Kd 3 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinate phosphoribosyltransferase CHEMBL4523354 | Ki | 8.72 | 8.72 | 1.9 | 1 |
| Mus musculus CHEMBL375 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| D-amino-acid oxidase CHEMBL5485 | Ki | 5.7 | 4.904 | 2000.0 | 5 |
| D-amino-acid oxidase CHEMBL5485 | IC50 | 5.68 | 4.73 | 2089.3 | 3 |
| D-amino-acid oxidase CHEMBL5485 | Kd | 5.66 | 5.45 | 2200.0 | 3 |
| Mushroom tyrosinase CHEMBL6066154 | Ki | 5.34 | 5.34 | 4600.0 | 1 |
| Solute carrier family 22 member 20 CHEMBL5269 | Ki | 4.86 | 4.86 | 13800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine