Details of the Drug

General Information of Drug (ID: DMRQ8T9)

Drug Name

4-(2-(diethylamino)ethylamino)-1-naphthol

Synonyms

CHEMBL576113; Kinome_2771; 4-(2-(diethylamino)ethylamino)-1-naphthol; SCHEMBL12649369

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)

258.36

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H22N2O
IUPAC Name: 4-[2-(diethylamino)ethylamino]naphthalen-1-ol
Canonical SMILES: CCN(CC)CCNC1=CC=C(C2=CC=CC=C21)O
InChI: InChI=1S/C16H22N2O/c1-3-18(4-2)12-11-17-15-9-10-16(19)14-8-6-5-7-13(14)15/h5-10,17,19H,3-4,11-12H2,1-2H3
InChIKey: LVUBFHBEMVTCJQ-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.