Details of the Drug

General Information of Drug (ID: DM45VRX)

Drug Name
5-(isopropylamino)quinolin-8-ol
Synonyms CHEMBL571661; 5-(isopropylamino)quinolin-8-ol; 8-Quinolinol, 5-[(1-methylethyl)amino]-; SCHEMBL12599076; BDBM50303920
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) 202.25
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C12H14N2O
IUPAC Name
5-(propan-2-ylamino)quinolin-8-ol
Canonical SMILES
CC(C)NC1=C2C=CC=NC2=C(C=C1)O
InChI
InChI=1S/C12H14N2O/c1-8(2)14-10-5-6-11(15)12-9(10)4-3-7-13-12/h3-8,14-15H,1-2H3
InChIKey
BRXAKDWFCHQCDT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44466195
ChEBI ID
CHEMBL571661
TTD ID
D01CSZ
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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.