General Information of the Compound
Compound ID
CP0105225
Compound Name
Aminohippuric Acid
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Synonyms
2-(4-aminobenzamido)acetic acid
4-Amino hippuric acid
4-Aminobenzoyl Glycine
4-Aminohippuric acid
61-78-9
AMINOHIPPURIC ACID
Aminohippurate
EINECS 200-518-9
Glycine, N-(4-aminobenzoyl)-
HSDB 2139
Hippuric acid, p-amino-
N-(4-Aminobenzoyl)glycine
N-(p-Aminobenzoyl)aminoacetic acid
N-(p-Aminobenzoyl)glycine
N-(para-aminobenzoyl)glycine
NSC 13064
Nefrotest
P-AMINOHIPPURIC ACID
PAH
PAH (amino acid)
Paha
UNII-Y79XT83BJ9
aminohippuric acid
p-Aminohippurate
para-Aminohippurate
para-Aminohippuric acid
paraaminohippuric acid
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Structure
Formula
C9H10N2O3
Molecular Weight
194.19
Canonical SMILES
Nc1ccc(cc1)C(=O)NCC(O)=O
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InChI
InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)
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InChIKey
HSMNQINEKMPTIC-UHFFFAOYSA-N
CAS
61-78-9
Physicochemical Property
logP
0.0832
Rotatable Bonds
3
Heavy Atom Count
14
Polar Areas
92.42
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
14

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 2148
SID: 15322330
ChEMBL ID
CHEMBL463
DrugBank ID
DB00345
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 19952.6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02209, Organic anion transporter 3
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000090 Schneider 2
 Cell Line Info 
Drosophila melanogaster (Fruit fly)  1
1
Ki = 19600 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT04064, Solute carrier family 22 member 6
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 8800 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000090 Schneider 2
 Cell Line Info 
Drosophila melanogaster (Fruit fly)  1
1
Ki = 6020 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000088 Flp-In-293
 Cell Line Info 
Homo sapiens (Human)  1
1
Km = 20000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000422 OK
 Cell Line Info 
Didelphis virginiana (North American opossum)  1
1
Km = 22000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06061, Solute carrier family 22 member 6
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1
 Cell Line Info 
Sus scrofa (Pig)  1
1
Km = 85100 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( AMINOHIPPURIC ACID )
Drug Name AMINOHIPPURIC ACID
Target(s)
Solute carrier family 22 member 8 (SLC22A8)
 Target Info 
Inhibitor