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Compound Detail

CHEMBL363514

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N#C/C(=C1\OC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL363514
Phase Preclinical
Structure Type MOL
InChI Key MMECWWPRMHQXME-CCEZHUSRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.2
MW (Da)
4.41
ALogP
4
HBA
0
HBD
70.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H8Cl2N2O3
MW 359.17
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.88

Activity Summary

IC50 1 meas. best 4.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase Pfmrk
CHEMBL4090
 IC50 4.85 4.85 14000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase Pfmrk IC50 = 14000.0 nM 4.85 Inhibition of Plasmodium falciparum cyclin-dependent kinase 15481979

Literature References

PubMed DOI Target Context # Activities
15481979 10.1021/jm040108f Protein kinase Pfmrk 1

Data from ChEMBL 36 via Core Engine