Compound Detail
CHEMBL256393
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C[C@]12C[C@@H](Cc3ccc4nc(C(F)(F)F)ccc4c3)CC(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nccs1)CS2
Basic Information
| ChEMBL ID | CHEMBL256393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTCPVKBJBNQNHD-LZNJQUHISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
647.8
MW (Da)
3.95
ALogP
8
HBA
4
HBD
154.2
PSA (Ų)
0.11
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 10.0 | nM | 8.0 | Inhibition of human alpha-thrombin | 18053726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18053726 | 10.1016/j.bmc.2007.11.015 | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine