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Compound Detail

CHEMBL471670

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O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1ccc(C2=NCCCN2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL471670
Phase Preclinical
Structure Type MOL
InChI Key FPGLKGGBGLNGJL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

433.9
MW (Da)
3.98
ALogP
5
HBA
3
HBD
95.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20ClN5O2
MW 433.90
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.52

Activity Summary

IC50 1 meas. best 6.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
 IC50 6.65 6.65 226.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X IC50 = 226.0 nM 6.65 Inhibition of Factor 10a 19297158

Literature References

PubMed DOI Target Context # Activities
19297158 10.1016/j.bmcl.2009.02.114 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine