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Compound Detail

CHEMBL261524

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O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCN(c2ccc3nccn3c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL261524
Phase Preclinical
Structure Type MOL
InChI Key XOJYAKHFTOVZFI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

483.0
MW (Da)
3.65
ALogP
6
HBA
0
HBD
75.0
PSA (Ų)
0.43
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 C24H23ClN4O3S
MW 482.99
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -2.11

Activity Summary

IC50 1 meas. best 7.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
 IC50 7.06 7.06 87.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X IC50 = 87.0 nM 7.06 Inhibition of human factor 10a 18164204

Literature References

PubMed DOI Target Context # Activities
18164204 10.1016/j.bmc.2007.12.024 Coagulation factor X 1
18164204 10.1016/j.bmc.2007.12.024 Plasma 1

Data from ChEMBL 36 via Core Engine