General Information of Drug (ID: DM37I92)

Drug Name
RPR-108514A
Synonyms CHEMBL543669; RPR-108514A
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 331.8
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Chemical Identifiers
Formula
C17H18ClN3O2
IUPAC Name
6,7-dimethoxy-N-methyl-N-phenylquinazolin-4-amine;hydrochloride
Canonical SMILES
CN(C1=CC=CC=C1)C2=NC=NC3=CC(=C(C=C32)OC)OC.Cl
InChI
InChI=1S/C17H17N3O2.ClH/c1-20(12-7-5-4-6-8-12)17-13-9-15(21-2)16(22-3)10-14(13)18-11-19-17;/h4-11H,1-3H3;1H
InChIKey
LPXMNVUTNCZLBT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
18770833
TTD ID
D0FH3M

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 The synthesis and SAR of new 4-(N-alkyl-N-phenyl)amino-6,7-dimethoxyquinazolines and 4-(N-alkyl-N-phenyl)aminopyrazolo[3,4-d]pyrimidines, inhibitors of CSF-1R tyrosine kinase activity, Bioorg. Med. Chem. Lett. 7(4):421-424 (1997).