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
ATC Code
: Aminobenzoic acid
D02AF: Salicylic acid preparations
D02A: EMOLLIENTS AND PROTECTIVES
D02: EMOLLIENTS AND PROTECTIVES
D: DERMATOLOGICALS
: Aminobenzoic acid
D02AX: Other emollients and protectives
D02A: EMOLLIENTS AND PROTECTIVES
D02: EMOLLIENTS AND PROTECTIVES
D: DERMATOLOGICALS
D02BA01: Aminobenzoic acid
D02BA: Protectives against UV-radiation for topical use
D02B: PROTECTIVES AGAINST UV-RADIATION
D02: EMOLLIENTS AND PROTECTIVES
D: DERMATOLOGICALS
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
InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKey
ALYNCZNDIQEVRV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
978
ChEBI ID
CHEMBL542
CAS Number
150-13-0
UNII
TL2TJE8QTX
DrugBank ID
DB02362
INTEDE ID
DR0086
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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
Nuclear factor NF-kappa-B p105 subunit (NFKB1) OTNRRD8I NFKB1_HUMAN Gene/Protein Processing [3]
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 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.