Details of the Drug

General Information of Drug (ID: DMUN54G)

Drug Name

AMINOHIPPURIC ACID

Synonyms

4-Aminohippuric acid; aminohippuric acid; 61-78-9; P-AMINOHIPPURIC ACID; Paha; Glycine, N-(4-aminobenzoyl)-; N-(4-Aminobenzoyl)glycine; para-Aminohippuric acid; Nefrotest; 2-(4-aminobenzamido)acetic acid; N-(p-Aminobenzoyl)glycine; p-Aminohippurate; Aminohippurate; PAH (amino acid); 4-Amino hippuric acid; N-(para-aminobenzoyl)glycine; Hippuric acid, p-amino-; N-(p-Aminobenzoyl)aminoacetic acid; para-Aminohippurate; paraaminohippuric acid; PAH; UNII-Y79XT83BJ9; NSC 13064; HSDB 2139; 4-Aminobenzoyl Glycine; EINECS 200-518-9

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

194.19

Logarithm of the Partition Coefficient (xlogp)

-0.9

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C9H10N2O3
IUPAC Name: 2-[(4-aminobenzoyl)amino]acetic acid
Canonical SMILES: C1=CC(=CC=C1C(=O)NCC(=O)O)N
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)
InChIKey: HSMNQINEKMPTIC-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2148
ChEBI ID: CHEBI:104011
CAS Number: 61-78-9
DrugBank ID: DB00345
TTD ID: D04DLM
VARIDT ID: DR00067

Combinatorial Drugs (CBD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Solute carrier family 22 member 8 (SLC22A8)	TTTQR47	S22A8_HUMAN	Inhibitor	[2]

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Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Sodium-dependent phosphate transport protein 3 (SLC17A2)	DTRF4L3	NPT3_HUMAN	Substrate	[3]
ATP-binding cassette sub-family A member 8 (ABCA8)	DT9NXMV	ABCA8_HUMAN	Substrate	[4]
Sodium-dependent phosphate transport protein 4 (SLC17A3)	DTFOJL7	NPT4_HUMAN	Substrate	[5]
Multidrug resistance-associated protein 2 (ABCC2)	DTFI42L	MRP2_HUMAN	Substrate	[6]
Multidrug resistance-associated protein 4 (ABCC4)	DTCSGPB	MRP4_HUMAN	Substrate	[7]
Organic anion transporting polypeptide 1A2 (SLCO1A2)	DTE2B1D	SO1A2_HUMAN	Substrate	[8]
Multidrug resistance-associated protein 1 (ABCC1)	DTSYQGK	MRP1_HUMAN	Substrate	[6]
Organic anion transporter 1 (SLC22A6)	DTQ23VB	S22A6_HUMAN	Substrate	[9]
Organic anion transporter 3 (SLC22A8)	DTVP67E	S22A8_HUMAN	Substrate	[10]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
26S proteasome non-ATPase regulatory subunit 1 (PSMD1)	OTW258OV	PSMD1_HUMAN	Gene/Protein Processing	[11]
26S proteasome non-ATPase regulatory subunit 4 (PSMD4)	OTH1VZTM	PSMD4_HUMAN	Gene/Protein Processing	[11]
26S proteasome regulatory subunit 4 (PSMC1)	OTLHD56E	PRS4_HUMAN	Gene/Protein Processing	[11]
26S proteasome regulatory subunit 7 (PSMC2)	OTJ4V337	PRS7_HUMAN	Gene/Protein Processing	[11]
ABC-type organic anion transporter ABCA8 (ABCA8)	OTCWLX6N	ABCA8_HUMAN	Regulation of Drug Effects	[4]
Alcohol dehydrogenase class-3 (ADH5)	OTSO67MI	ADHX_HUMAN	Gene/Protein Processing	[11]
Aldo-keto reductase family 1 member C1 (AKR1C1)	OTQKR4CM	AK1C1_HUMAN	Gene/Protein Processing	[11]
Alpha-taxilin	OTO8XY5A	TXLNA_HUMAN	Gene/Protein Processing	[12]
Amine oxidase A (MAOA)	OT8NIWMQ	AOFA_HUMAN	Gene/Protein Processing	[11]
Amine oxidase B (MAOB)	OTTDFM1O	AOFB_HUMAN	Gene/Protein Processing	[11]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4810).
2	Structural variation governs substrate specificity for organic anion transporter (OAT) homologs. Potential remote sensing by OAT family members. J Biol Chem. 2007 Aug 17;282(33):23841-53.
3	Wide expression of type I Na+-phosphate cotransporter 3 (NPT3/SLC17A2), a membrane potential-driven organic anion transporter. Am J Physiol Cell Physiol. 2015 Jul 15;309(2):C71-80.
4	Functional analysis of ABCA8, a new drug transporter. Biochem Biophys Res Commun. 2002 Oct 18;298(1):41-5.
5	Human sodium phosphate transporter 4 (hNPT4/SLC17A3) as a common renal secretory pathway for drugs and urate. J Biol Chem. 2010 Nov 5;285(45):35123-32.
6	ATP-dependent para-aminohippurate transport by apical multidrug resistance protein MRP2. Kidney Int. 2000 Apr;57(4):1636-42.
7	Contribution of multidrug resistance protein 2 (MRP2/ABCC2) to the renal excretion of p-aminohippurate (PAH) and identification of MRP4 (ABCC4) as a novel PAH transporter. J Am Soc Nephrol. 2004 Nov;15(11):2828-35.
8	Characterization and identification of steroid sulfate transporters of human placenta. Am J Physiol Endocrinol Metab. 2003 Feb;284(2):E390-8.
9	Interactions of human organic anion transporter 1 (hOAT1) with substances associated with forensic toxicology. Leg Med (Tokyo). 2011 Jul;13(4):180-5.
10	Identification and characterization of human organic anion transporter 3 expressing predominantly in the kidney. Mol Pharmacol. 2001 May;59(5):1277-86.
11	Identification of molecular signatures predicting the carcinogenicity of polycyclic aromatic hydrocarbons (PAHs). Toxicol Lett. 2012 Jul 7;212(1):18-28. doi: 10.1016/j.toxlet.2012.04.013. Epub 2012 May 1.
12	Cancer-related proteins in serum are altered in workers occupationally exposed to polycyclic aromatic hydrocarbons: a cross-sectional study. Carcinogenesis. 2019 Jul 6;40(6):771-781. doi: 10.1093/carcin/bgz022.