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]
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
PubChem CID
45487214
ChEBI ID
CHEMBL570066
TTD ID
D00XOT
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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]
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.