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Compound Detail

CHEMBL257400

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O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(-n2ccccc2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL257400
Phase Preclinical
Structure Type MOL
InChI Key HLKAGEVBJQDRJP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

479.3
MW (Da)
5.04
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H16Cl2N4O3
MW 479.32
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.83

Activity Summary

Ki 1 meas. best 10.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
 Ki 10.22 10.22 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X Ki = 0.06 nM 10.22 Inhibition of human factor 10a 18424044

Literature References

PubMed DOI Target Context # Activities
18424044 10.1016/j.bmcl.2008.03.092 Coagulation factor X 1
18424044 10.1016/j.bmcl.2008.03.092 Plasma 1

Data from ChEMBL 36 via Core Engine