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Compound Detail

CHEMBL232325

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Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)c2ccc(-n3ccccc3=O)cc2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL232325
Phase Preclinical
Structure Type MOL
InChI Key NJZIZIPRJCNHHY-RBUKOAKNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

421.5
MW (Da)
3.29
ALogP
5
HBA
2
HBD
80.2
PSA (Ų)
0.66
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 C23H23N3O3S
MW 421.52
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.39

Activity Summary

Ki 1 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
 Ki 8.1 8.1 7.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X Ki = 7.92 nM 8.1 Inhibition of human factor 10a 17588746

Literature References

PubMed DOI Target Context # Activities
17588746 10.1016/j.bmcl.2007.06.029 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine