Compound Detail
CHEMBL244435
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COc1ccc(OC)c(S(=O)(=O)N2CCC(N(C)Cc3ccc4ccc(C(=N)N)cc4c3)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL244435 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAWYYLRXVQVVLL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
3.43
ALogP
6
HBA
2
HBD
109.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 590.0 | nM | 6.23 | Inhibition of human factor 10a | 17416533 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17416533 | 10.1016/j.bmc.2007.03.066 | Unchecked | 2 |
| 17416533 | 10.1016/j.bmc.2007.03.066 | Coagulation factor X | 1 |
| 17416533 | 10.1016/j.bmc.2007.03.066 | Prothrombin | 1 |
| 17416533 | 10.1016/j.bmc.2007.03.066 | Trypsin | 1 |
Data from ChEMBL 36 via Core Engine