Details of the Drug

General Information of Drug (ID: DMEAZFJ)

Drug Name

4-(propylamino)naphthalen-1-ol

Synonyms

CHEMBL572064; 4-(propylamino)naphthalen-1-ol; SCHEMBL12599065

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)

201.26

Logarithm of the Partition Coefficient (xlogp)

4.2

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C13H15NO
IUPAC Name: 4-(propylamino)naphthalen-1-ol
Canonical SMILES: CCCNC1=CC=C(C2=CC=CC=C21)O
InChI: InChI=1S/C13H15NO/c1-2-9-14-12-7-8-13(15)11-6-4-3-5-10(11)12/h3-8,14-15H,2,9H2,1H3
InChIKey: FDQDPQDUXWRNKT-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.