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Compound Detail

CHEMBL473969

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CN1CCN=C1c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1

Basic Information

ChEMBL ID CHEMBL473969
Phase Preclinical
Structure Type MOL
InChI Key LKPZPGHQDNNARH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

468.3
MW (Da)
4.59
ALogP
5
HBA
2
HBD
86.7
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 C23H19Cl2N5O2
MW 468.34
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.52

Activity Summary

IC50 1 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
IC50 8.82 8.82 1.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X IC50 = 1.5 nM 8.82 Inhibition of Factor 10a 19297154

Literature References

PubMed DOI Target Context # Activities
19297154 10.1016/j.bmcl.2009.02.111 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine