Details of the Drug

General Information of Drug (ID: DMJVPF0)

Drug Name

4-hydroxybenzylamine

Synonyms

4-Hydroxybenzylamine; 4-(aminomethyl)phenol; 696-60-6; 4-Aminomethyl-phenol; para-Hydroxybenzylamine; UNII-7J7F85B7BI; 4-aminomethylphenol; CHEMBL202519; 7J7F85B7BI; (4-HYDROXYPHENYL)METHANAMINIUM BROMIDE; 4-Hydroxybenzylamine hydrate, 97%; a-Amino-p-cresol; p-hydroxybenzylamine; 4-hyroxybenzylamine; 4-hydroxylbenzylamine; NSC 125720; 4-hydroxybenzyl amine; 4-hydroxy benzylamine; 4-(amino methyl)phenol; 4-(Aminomethyl)-Phenol; ACMC-1AXW9; Phenol, 4-(aminomethyl)-; AC1Q7A8B; AC1L3YL9; SCHEMBL63123; (4-Hydroxyphenyl)methylamine

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

123.15

Logarithm of the Partition Coefficient (xlogp)

0

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C7H9NO
IUPAC Name: 4-(aminomethyl)phenol
Canonical SMILES: C1=CC(=CC=C1CN)O
InChI: InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5,8H2
InChIKey: RQJDUEKERVZLLU-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 97472
CAS Number: 696-60-6
TTD ID: D07ZBH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA transaminase (ABAT)	TTT2LD9	GABT_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Inhibition of GABA shunt enzymes' activity by 4-hydroxybenzaldehyde derivatives. Bioorg Med Chem Lett. 2006 Feb;16(3):592-5.