Details of the Drug

General Information of Drug (ID: DM17QG8)

Drug Name

4-(2-Hydroxyethoxy)-1-naphthol

Synonyms

4-(2-Hydroxyethoxy)-1-naphthol; CHEMBL570066; 83115-56-4; SCHEMBL12599103

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)

204.22

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C12H12O3
IUPAC Name: 4-(2-hydroxyethoxy)naphthalen-1-ol
Canonical SMILES: C1=CC=C2C(=C1)C(=CC=C2OCCO)O
InChI: InChI=1S/C12H12O3/c13-7-8-15-12-6-5-11(14)9-3-1-2-4-10(9)12/h1-6,13-14H,7-8H2
InChIKey: PABAILNRYWRUQG-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.