Compound Detail
CHEMBL102978
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N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1CC(=O)NCc1cc(Cl)ccc1-n1cnnn1
Basic Information
| ChEMBL ID | CHEMBL102978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZAGWUFIJOYRPO-VQTJNVASSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
468.0
MW (Da)
1.88
ALogP
7
HBA
2
HBD
119.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 9.48 | 9.48 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 0.33 | nM | 9.48 | Inhibitory potency against human thrombin | 15163182 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15163182 | 10.1021/jm030303e | Prothrombin | 1 |
| 15163182 | 10.1021/jm030303e | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine