Details of the Drug

General Information of Drug (ID: DMYNASR)

Drug Name
4-AMBA
Synonyms
4-(Aminomethyl)benzoic acid; 56-91-7; 4-Carboxybenzylamine; Pamba; 4-Aminomethylbenzoic acid; Styptopur; Gumbix; p-Aminomethylbenzoic acid; Aminomethylbenzoic acid; Benzoic acid, 4-(aminomethyl)-; Benzylamine-4-carboxylic acid; alpha-Amino-p-toluic acid; p-(Aminomethyl)benzoic acid; Aminomethyl benzoic acid; UNII-68WG9JKC7L; 4-Aminomethyl-benzoic acid; 4-(Aminomethyl)benzoesaeure; NSC41629; EINECS 200-297-9; NSC 41629; 68WG9JKC7L; .alpha.-Amino-p-toluic acid; CHEMBL328875; p-Toluic acid, .alpha.-amino-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 151.16
Logarithm of the Partition Coefficient (xlogp) -1.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C8H9NO2
IUPAC Name
4-(aminomethyl)benzoic acid
Canonical SMILES
C1=CC(=CC=C1CN)C(=O)O
InChI
InChI=1S/C8H9NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H,10,11)
InChIKey
QCTBMLYLENLHLA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
65526
ChEBI ID
CHEBI:134774
CAS Number
56-91-7
TTD ID
D0S3VV
VARIDT ID
DR01062

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Solute carrier family 15 member 1 (SLC15A1) TT5LF3C S15A1_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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: 4702).
2 Activation of vagal afferents in the rat duodenum by protein digests requires PepT1. J Nutr. 2005 Jun;135(6):1491-5.