Compound Detail
CHEMBL542
AMINOBENZOIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL542 |
| Name | AMINOBENZOIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALYNCZNDIQEVRV-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
3
Targets
6
Activities
3
Assay Types
2
PK Parameters
20
Publications
6
Known Names
Molecular Properties
137.1
MW (Da)
0.97
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
ATC Classification
D02BA01
aminobenzoic acid
Level 1: DERMATOLOGICALS
Level 2: EMOLLIENTS AND PROTECTIVES
Activity Summary
IC50 4 meas. best 7.45
Kd 1 meas. best 5.25
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 7.45 | 7.45 | 35.2 | 1 |
| Tyrosinase CHEMBL3318 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| Dihydropteroate synthase CHEMBL1075045 | Kd | 5.25 | 5.25 | 5620.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 100.0 | hr | Homo sapiens |
| T1/2 | 0.01 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 35.2 | nM | 7.45 | Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as s... | 22172310 |
| Tyrosinase | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of mushroom tyrosinase using L-tyrosine as substrate assessed as dopa... | 27507110 |
| Dihydropteroate synthase | Kd | = | 5620.0 | nM | 5.25 | Binding affinity to Bacillus anthracis DHPS expressed in Escherichia coli BL21 (... | 19899766 |
Literature References
Data from ChEMBL 36 via Core Engine