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Compound Detail

CHEMBL232566

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O=C(NCCNC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL232566
Phase Preclinical
Structure Type MOL
InChI Key UCKHUNHXYMAFQM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

401.9
MW (Da)
2.71
ALogP
5
HBA
2
HBD
80.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H16ClN3O3S
MW 401.88
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.73

Activity Summary

Ki 1 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
 Ki 8.82 8.82 1.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X Ki = 1.5 nM 8.82 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
17588746 10.1016/j.bmcl.2007.06.029 Plasma 1

Data from ChEMBL 36 via Core Engine