Compound Detail
CHEMBL118304
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COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4ccc(O)c(C(=N)N)c4)C3=O)cc2c1
Basic Information
| ChEMBL ID | CHEMBL118304 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWDPXYCOPKIFNO-FQEVSTJZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
468.5
MW (Da)
1.92
ALogP
6
HBA
4
HBD
145.8
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 6.01 | 6.01 | 983.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 983.0 | nM | 6.01 | Inhibition of human coagulation factor Xa | 10479289 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10479289 | 10.1021/jm990041+ | Coagulation factor X | 1 |
| 10479289 | 10.1021/jm990041+ | Prothrombin | 1 |
| 10479289 | 10.1021/jm990041+ | Trypsin II | 1 |
Data from ChEMBL 36 via Core Engine