Details of the Drug

General Information of Drug (ID: DMU5A2B)

Drug Name
4-(tert-butylamino)naphthalen-1-ol
Synonyms CHEMBL568767; 4-(tert-butylamino)naphthalen-1-ol; SCHEMBL12599109
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) 215.29
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C14H17NO
IUPAC Name
4-(tert-butylamino)naphthalen-1-ol
Canonical SMILES
CC(C)(C)NC1=CC=C(C2=CC=CC=C21)O
InChI
InChI=1S/C14H17NO/c1-14(2,3)15-12-8-9-13(16)11-7-5-4-6-10(11)12/h4-9,15-16H,1-3H3
InChIKey
YZPHFECVIINFFI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44465947
ChEBI ID
CHEMBL568767
TTD ID
D0N1ZJ
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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.