Details of the Drug

General Information of Drug (ID: DMF6S3X)

Drug Name

4-(Benzylamino)-1-naphthol

Synonyms

CHEMBL569096; 4-(Benzylamino)-1-naphthol; SCHEMBL6677663

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)

249.31

Logarithm of the Partition Coefficient (xlogp)

4.3

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C17H15NO
IUPAC Name: 4-(benzylamino)naphthalen-1-ol
Canonical SMILES: C1=CC=C(C=C1)CNC2=CC=C(C3=CC=CC=C32)O
InChI: InChI=1S/C17H15NO/c19-17-11-10-16(14-8-4-5-9-15(14)17)18-12-13-6-2-1-3-7-13/h1-11,18-19H,12H2
InChIKey: GXGORQOUKCMHGK-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Indoleamine 2,3-dioxygenase 1 (IDO1)	TTZJYKH	I23O1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Rational design of indoleamine 2,3-dioxygenase inhibitors. J Med Chem. 2010 Feb 11;53(3):1172-89.