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Compound Detail

CHEMBL243402

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CS(=O)(=O)N(Cc1ccc2ccc(C(=N)N)cc2c1)C1CCN(c2ccncc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL243402
Phase Preclinical
Structure Type MOL
InChI Key WLZJGOSYPPZPHE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

437.6
MW (Da)
2.95
ALogP
5
HBA
2
HBD
103.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27N5O2S
MW 437.57
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.25

Activity Summary

IC50 1 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
 IC50 7.05 7.05 90.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X IC50 = 90.0 nM 7.05 Inhibition of human factor 10a 17416533

Literature References

PubMed DOI Target Context # Activities
17416533 10.1016/j.bmc.2007.03.066 Unchecked 2
17416533 10.1016/j.bmc.2007.03.066 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine