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Compound Detail

CHEMBL270323

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O=C(NCCCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C1CCN(c2ccncc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL270323
Phase Preclinical
Structure Type MOL
InChI Key KMWQLGXLIWYWKL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

472.0
MW (Da)
4.08
ALogP
5
HBA
1
HBD
79.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26ClN3O3S
MW 472.01
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.91

Activity Summary

IC50 1 meas. best 6.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
 IC50 6.33 6.33 470.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X IC50 = 470.0 nM 6.33 Inhibition of human factor 10a 18077174

Literature References

PubMed DOI Target Context # Activities
18077174 10.1016/j.bmc.2007.11.073 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine