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Compound Detail

CHEMBL20932

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Cc1cc(C(=O)Nc2ccc(C(=N)N3CCCC3)cc2F)n(-c2ccc3cc(Cl)ccc3c2)n1

Basic Information

ChEMBL ID CHEMBL20932
Phase Preclinical
Structure Type MOL
InChI Key SWLCIXQHUFMUDJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

476.0
MW (Da)
5.80
ALogP
4
HBA
2
HBD
74.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23ClFN5O
MW 475.96
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.88

Activity Summary

IC50 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
IC50 8.15 8.15 7.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X IC50 = 7.0 nM 8.15 In vitro inhibitory activity against human coagulation factor X 14980671

Literature References

PubMed DOI Target Context # Activities
14980671 10.1016/j.bmcl.2003.12.054 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine