Details of the Drug

General Information of Drug (ID: DMF3O10)

Drug Name

4-(methylamino)naphthalen-1-ol

Synonyms

CHEMBL571240; 4-(methylamino)naphthalen-1-ol; SCHEMBL10158309; BDBM50303921

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)

173.21

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C11H11NO
IUPAC Name: 4-(methylamino)naphthalen-1-ol
Canonical SMILES: CNC1=CC=C(C2=CC=CC=C21)O
InChI: InChI=1S/C11H11NO/c1-12-10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7,12-13H,1H3
InChIKey: YEJJUWPHXGQPCZ-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.