Compound Detail
CHEMBL463
AMINOHIPPURIC ACID 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL463 |
| Name | AMINOHIPPURIC ACID |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | HSMNQINEKMPTIC-UHFFFAOYSA-N |
3
Targets
14
Activities
2
Assay Types
0
PK Parameters
20
Publications
5
Known Names
Molecular Properties
194.2
MW (Da)
0.08
ALogP
3
HBA
3
HBD
92.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1982 |
| Availability | Discontinued |
| Chirality | Achiral |
ATC Classification
V04CH30
aminohippuric acid
Level 1: VARIOUS
Level 2: DIAGNOSTIC AGENTS
Activity Summary
Ki 10 meas. best 5.22
IC50 4 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 6 CHEMBL1641347 | Ki | 5.22 | 5.22 | 6020.0 | 2 |
| Solute carrier family 22 member 6 CHEMBL1641347 | IC50 | 5.06 | 5.06 | 8800.0 | 1 |
| Solute carrier family 22 member 6 CHEMBL5653 | Ki | 5.03 | 5.03 | 9332.5 | 2 |
| Organic anion transporter 3 CHEMBL1641348 | Ki | 4.71 | 4.71 | 19600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 6 | Ki | = | 6020.0 | nM | 5.22 | Inhibition of human Oat1 expressed in Drosophila S2 cells | 21571536 |
| Solute carrier family 22 member 6 | Ki | = | 6020.0 | nM | 5.22 | TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT1-expressing S2 cells | 11669456 |
| Solute carrier family 22 member 6 | IC50 | = | 8800.0 | nM | 5.06 | TP_TRANSPORTER: inhibition of 6-Carboxyfluorescein uptake in OAT1-expressing CHO... | 10929807 |
| Solute carrier family 22 member 6 | Ki | = | 9332.54 | nM | 5.03 | Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr | 17553798 |
| Solute carrier family 22 member 6 | Ki | = | 9400.0 | nM | 5.03 | Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr | 17553798 |
| Organic anion transporter 3 | Ki | = | 19600.0 | nM | 4.71 | TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT3-expressing S2 cells | 11669456 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 14 |
| 22190696 | 10.1124/dmd.111.042036 | Solute carrier family 22 member 6 | 4 |
| 18952446 | 10.1016/j.bmc.2008.10.013 | Peptidylglycine alpha-amidating monooxygenase | 4 |
| 17553798 | 10.1074/jbc.m703467200 | Solute carrier family 22 member 6 | 3 |
| 17553798 | 10.1074/jbc.m703467200 | Solute carrier family 22 member 20 | 3 |
| 10508931 | 10.1016/s0014-5793(99)01221-1 | Solute carrier organic anion transporter family member 1A3 | 2 |
| 2496229 | 10.1021/jm00125a017 | Aldo-keto reductase family 1 member B1 | 2 |
| 14762099 | 10.1124/jpet.103.063370 | Organic anion transporter 3 | 2 |
| 15100168 | 10.1124/dmd.32.5.479 | Organic anion transporter 3 | 2 |
| 11160873 | 10.1124/mol.59.2.358 | Organic cation/carnitine transporter 2 | 2 |
| 12837685 | 10.1152/ajprenal.00140.2003 | Solute carrier family 22 member 6 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 10525100 | - | Organic cation/carnitine transporter 2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 2 |
| 26948801 | 10.1016/j.drudis.2016.02.015 | Homo sapiens | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 33369426 | 10.1021/acs.jmedchem.0c01762 | 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prostaglandin G/H synthase 1 | 2 |
Data from ChEMBL 36 via Core Engine