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Compound Detail

CHEMBL256573

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O=C(Nc1ccc(Cl)cn1)c1ccccc1NCc1ccc(-n2ccccc2=O)cc1

Basic Information

ChEMBL ID CHEMBL256573
Phase Preclinical
Structure Type MOL
InChI Key HXFGOIVKTYTKDI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

430.9
MW (Da)
4.75
ALogP
5
HBA
2
HBD
76.0
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 C24H19ClN4O2
MW 430.90
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.88

Activity Summary

Ki 1 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
Ki 8.96 8.96 1.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X Ki = 1.1 nM 8.96 Inhibition of human factor 10a 18424044

Literature References

PubMed DOI Target Context # Activities
18424044 10.1016/j.bmcl.2008.03.092 Coagulation factor X 1
18424044 10.1016/j.bmcl.2008.03.092 Plasma 1

Data from ChEMBL 36 via Core Engine