Details of the Drug

General Information of Drug (ID: DMZ1RMA)

Drug Name
US9156852, 105
Synonyms SCHEMBL15066797; CHEMBL3915720; BDBM185590; US9156852, 105
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 478.9
Logarithm of the Partition Coefficient (xlogp) 4.9
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C23H16ClFN6OS
IUPAC Name
4-amino-N-[1-(3-chloro-4-fluoroanilino)-6-methylisoquinolin-5-yl]thieno[3,2-d]pyrimidine-7-carboxamide
Canonical SMILES
CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC(=C(C=C3)F)Cl)NC(=O)C4=CSC5=C4N=CN=C5N
InChI
InChI=1S/C23H16ClFN6OS/c1-11-2-4-14-13(6-7-27-22(14)30-12-3-5-17(25)16(24)8-12)18(11)31-23(32)15-9-33-20-19(15)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)
InChIKey
GNDBDDNLWIOKDN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
71622865
ChEBI ID
CHEMBL3915720
TTD ID
D0T8BO
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Discoidin domain-containing receptor 2 (DDR2) TTU98HG DDR2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Thieno[3,2-D]pyrimidine derivatives having inhibitory activity for protein kinases. US9156852.