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Compound Detail

CHEMBL360510

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CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2nc(-c3ccc(Cl)cc3)no2)CC1

Basic Information

ChEMBL ID CHEMBL360510
Phase Preclinical
Structure Type MOL
InChI Key KFEMNDSSCUFFIG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

478.0
MW (Da)
5.00
ALogP
6
HBA
1
HBD
76.2
PSA (Ų)
0.42
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 C26H28ClN5O2
MW 478.00
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -2.11

Activity Summary

Ki 1 meas. best 5.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
Ki 5.65 5.65 2230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X Ki = 2230.0 nM 5.65 Inhibitory activity against coagulation factor Xa 15261268

Literature References

PubMed DOI Target Context # Activities
15261268 10.1016/j.bmcl.2004.06.020 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine