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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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
UNII: 68WG9JKC7L
DrugBank ID: DB13244
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.