Details of the Drug

General Information of Drug (ID: DMHIDY6)

Drug Name

4-(Pent-3-ylamino)-1-naphthol

Synonyms

CHEMBL571980; 4-(Pent-3-ylamino)-1-naphthol; SCHEMBL12649391

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): 1

Molecular Weight (mw)

229.32

Logarithm of the Partition Coefficient (xlogp)

5.2

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C15H19NO
IUPAC Name: 4-(pentan-3-ylamino)naphthalen-1-ol
Canonical SMILES: CCC(CC)NC1=CC=C(C2=CC=CC=C21)O
InChI: InChI=1S/C15H19NO/c1-3-11(4-2)16-14-9-10-15(17)13-8-6-5-7-12(13)14/h5-11,16-17H,3-4H2,1-2H3
InChIKey: LZQSUKJAJXHQLF-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.