Details of the Drug

General Information of Drug (ID: DMNGW2M)

Drug Name
Aminobenzoic acid
Synonyms
AMINOBENZOIC ACID; Anti-chromotrichia factor; Anticanitic vitamin; Bacterial vitamin H1; Benzoic acid, 4-amino-; Benzoic acid, p-amino-; Chromotrichia factor; Hachemina; Pabacyd; Pabafilm; Pabamine; Papacidum; Paraminol; Paranate; Potaba; RVPaba Lipstick; Romavit; Rvpaba; Sunbrella; Super Shade by Coppertone; Trichochromogenic factor; Vitamin BX; Vitamin H'; p-Carboxyaniline; p-Carboxyphenylamine; p-aminobenzoic acid; para-aminobenzoic acid; 1-Amino-4-carboxybenzene; 150-13-0; 4-Carboxyaniline; 4-aminobenzoic acid; Amben; PABA
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 137.14
Logarithm of the Partition Coefficient (xlogp) 0.8
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C7H7NO2
IUPAC Name
4-aminobenzoic acid
Canonical SMILES
C1=CC(=CC=C1C(=O)O)N
InChI
ALYNCZNDIQEVRV-UHFFFAOYSA-N
InChIKey
1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
Cross-matching ID
PubChem CID
978
ChEBI ID
CHEBI:30753
CAS Number
150-13-0
DrugBank ID
DB02362
INTEDE ID
DR0086

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Sulfotransferase 1A1 (SULT1A1) DEYWLRK ST1A1_HUMAN Substrate [1]
RNA cytidine acetyltransferase (hALP) DEZV4AP NAT10_HUMAN Substrate [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Arylamine N-acetyltransferase 1 (NAT1) OTCCNQ3H ARY1_HUMAN Biotransformations [3]
Cyclic AMP-responsive element-binding protein 1 (CREB1) OT1MDLA1 CREB1_HUMAN Gene/Protein Processing [4]
Nuclear factor NF-kappa-B p105 subunit (NFKB1) OTNRRD8I NFKB1_HUMAN Gene/Protein Processing [4]
Tumor necrosis factor (TNF) OT4IE164 TNFA_HUMAN Gene/Protein Processing [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Activities of drug metabolizing enzymes in bovine colon epithelial cell cultures. Arch Toxicol. 2003 Nov;77(11):621-9.
2 Leukemia inhibitory factor decreases the arylamine N-acetyltransferase activity in human cumulus granulosa cells. J Assist Reprod Genet. 2001 Dec;18(12):660-4.
3 N-Acetyltransferases, sulfotransferases and heterocyclic amine activation in the breast. Pharmacogenetics. 2001 Jul;11(5):373-88. doi: 10.1097/00008571-200107000-00002.
4 Gene markers in dendritic cells unravel pieces of the skin sensitization puzzle. Toxicol Lett. 2010 Jul 1;196(2):95-103. doi: 10.1016/j.toxlet.2010.04.003. Epub 2010 Apr 10.