Compound Detail
CHEMBL281801
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Cc1cc(C(=O)Nc2ccc(C(=N)N3CCCCC3)cc2F)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1
Basic Information
| ChEMBL ID | CHEMBL281801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WALUKQCOBHHACZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
533.6
MW (Da)
4.94
ALogP
6
HBA
2
HBD
108.2
PSA (Ų)
0.28
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 28.0 | nM | 7.55 | 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