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]
ATC Code
B02AA03: 4-AMBA
B02AA: Amino acids
B02A: ANTIFIBRINOLYTICS
B02: ANTIHEMORRHAGICS
B: BLOOD AND BLOOD FORMING ORGANS
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
CHEMBL328875
CAS Number
56-91-7
UNII
68WG9JKC7L
DrugBank ID
DB13244
TTD ID
D0S3VV
VARIDT ID
DR01062
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 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.