General Information of Drug (ID: DMFSOQY)

Drug Name
US9156852, 38
Synonyms SCHEMBL15065881; CHEMBL3954810; BDBM185586; US9156852, 38
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 460.9
Logarithm of the Partition Coefficient (xlogp) 4.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C23H17ClN6OS
IUPAC Name
4-amino-N-[1-(3-chloroanilino)-6-methylisoquinolin-5-yl]thieno[3,2-d]pyrimidine-7-carboxamide
Canonical SMILES
CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC(=CC=C3)Cl)NC(=O)C4=CSC5=C4N=CN=C5N
InChI
InChI=1S/C23H17ClN6OS/c1-12-5-6-16-15(7-8-26-22(16)29-14-4-2-3-13(24)9-14)18(12)30-23(31)17-10-32-20-19(17)27-11-28-21(20)25/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)
InChIKey
RFEWCQAWLXXDQI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
89655060
TTD ID
D05AFD

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.