Details of the Drug

General Information of Drug (ID: DM14C9V)

Drug Name

4-(ethylamino)naphthalen-1-ol

Synonyms

CHEMBL577335; 4-(ethylamino)-1-naphthol; 4-(ethylamino)naphthalen-1-ol; SCHEMBL12599061; BDBM50303902; AKOS022516437

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)

187.24

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C12H13NO
IUPAC Name: 4-(ethylamino)naphthalen-1-ol
Canonical SMILES: CCNC1=CC=C(C2=CC=CC=C21)O
InChI: InChI=1S/C12H13NO/c1-2-13-11-7-8-12(14)10-6-4-3-5-9(10)11/h3-8,13-14H,2H2,1H3
InChIKey: SKQYPGROWSDIBN-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.