Compound Detail
CHEMBL487306
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Cc1nc(C)n2c1CN(C1CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2=O
Basic Information
| ChEMBL ID | CHEMBL487306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMJJUUSOTIBUQR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
515.0
MW (Da)
3.95
ALogP
6
HBA
0
HBD
92.6
PSA (Ų)
0.51
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 8.28 | 8.28 | 5.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 5.3 | nM | 8.28 | Inhibition of human factor 10a | 18507371 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18507371 | 10.1021/jm701548u | Plasma | 3 |
| 18507371 | 10.1021/jm701548u | No relevant target | 2 |
| 18507371 | 10.1021/jm701548u | Coagulation factor X | 1 |
| 18507371 | 10.1021/jm701548u | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine