Details of the Drug

General Information of Drug (ID: DMHIDY6)

Drug Name
4-(Pent-3-ylamino)-1-naphthol
Synonyms CHEMBL571980; 4-(Pent-3-ylamino)-1-naphthol; SCHEMBL12649391
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): 1 Molecular Weight (mw) 229.32
Logarithm of the Partition Coefficient (xlogp) 5.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C15H19NO
IUPAC Name
4-(pentan-3-ylamino)naphthalen-1-ol
Canonical SMILES
CCC(CC)NC1=CC=C(C2=CC=CC=C21)O
InChI
InChI=1S/C15H19NO/c1-3-11(4-2)16-14-9-10-15(17)13-8-6-5-7-12(13)14/h5-11,16-17H,3-4H2,1-2H3
InChIKey
LZQSUKJAJXHQLF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
45487171
ChEBI ID
CHEMBL571980
TTD ID
D08MOG
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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.