Details of the Drug

General Information of Drug (ID: DMF6S3X)

Drug Name
4-(Benzylamino)-1-naphthol
Synonyms CHEMBL569096; 4-(Benzylamino)-1-naphthol; SCHEMBL6677663
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) 249.31
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C17H15NO
IUPAC Name
4-(benzylamino)naphthalen-1-ol
Canonical SMILES
C1=CC=C(C=C1)CNC2=CC=C(C3=CC=CC=C32)O
InChI
InChI=1S/C17H15NO/c19-17-11-10-16(14-8-4-5-9-15(14)17)18-12-13-6-2-1-3-7-13/h1-11,18-19H,12H2
InChIKey
GXGORQOUKCMHGK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
17937479
ChEBI ID
CHEMBL569096
TTD ID
D00UIK
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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.