Details of the Drug

General Information of Drug (ID: DMS7B6T)

Drug Name
3-Cyclopentyl-6,7-dimethoxy-quinoline
Synonyms CHEMBL66785; 3-cyclopentyl-6,7-dimethoxy-quinoline; SCHEMBL8801444; ZINC3834044
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) 257.329
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C16H19NO2
IUPAC Name
3-cyclopentyl-6,7-dimethoxyquinoline
Canonical SMILES
COC1=CC2=CC(=CN=C2C=C1OC)C3CCCC3
InChI
InChI=1S/C16H19NO2/c1-18-15-8-12-7-13(11-5-3-4-6-11)10-17-14(12)9-16(15)19-2/h7-11H,3-6H2,1-2H3
InChIKey
BYQWDMZNUPGMNG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10422592
ChEBI ID
CHEMBL66785
TTD ID
D00LRC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Platelet-derived growth factor receptor alpha (PDGFRA) TT8FYO9 PGFRA_HUMAN Inhibitor [1]
Platelet-derived growth factor receptor beta (PDGFRB) TTI7421 PGFRB_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Platelet-derived growth factor receptor beta (PDGFRB) DTT PDGFRB 5.35E-10 0.36 0.89
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 A new series of PDGF receptor tyrosine kinase inhibitors: 3-substituted quinoline derivatives. J Med Chem. 1994 Jul 8;37(14):2129-37.