Details of the Drug

General Information of Drug (ID: DMUOQN7)

Drug Name
4-(Cyclohexylamino)-1-naphthol
Synonyms CHEMBL571437; 4-(Cyclohexylamino)-1-naphthol
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) 241.33
Logarithm of the Partition Coefficient (xlogp) 4.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C16H19NO
IUPAC Name
4-(cyclohexylamino)naphthalen-1-ol
Canonical SMILES
C1CCC(CC1)NC2=CC=C(C3=CC=CC=C32)O
InChI
InChI=1S/C16H19NO/c18-16-11-10-15(13-8-4-5-9-14(13)16)17-12-6-2-1-3-7-12/h4-5,8-12,17-18H,1-3,6-7H2
InChIKey
JNIUFYOCOKGFDL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
45487176
ChEBI ID
CHEMBL571437
TTD ID
D0A7NH
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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.