Details of the Drug

General Information of Drug (ID: DM8B1Q4)

Drug Name
US8889672, 252-036-001
Synonyms SCHEMBL13837647; CHEMBL2393427; BDBM139472; US8889672, 252-036-001
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 369.4
Logarithm of the Partition Coefficient (xlogp) 4.7
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C20H19NO4S
IUPAC Name
benzyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
Canonical SMILES
COC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OCC3=CC=CC=C3)N)OC
InChI
InChI=1S/C20H19NO4S/c1-23-16-9-8-14(10-17(16)24-2)15-12-26-19(21)18(15)20(22)25-11-13-6-4-3-5-7-13/h3-10,12H,11,21H2,1-2H3
InChIKey
DXFCCKZJJXVRFH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
71009752
ChEBI ID
CHEMBL2393427
TTD ID
D0Y7KX
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
Protein kinase C zeta (PRKCZ) TTUWGRA KPCZ_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Protein kinase C zeta (PRKCZ) DTT PRKCZ 5.78E-42 0.75 0.9
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Compounds, formulations, and methods of protein kinase C inhibition. US8889672.