Compound Detail
CHEMBL165195
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Basic Information
| ChEMBL ID | CHEMBL165195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWUYRIOKOVJIHN-QFIPXVFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.6
MW (Da)
2.71
ALogP
4
HBA
3
HBD
101.3
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 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 4.5 | 4.5 | 31700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 31700.0 | nM | 4.5 | Inhibition constant was evaluated for inhibitory activity against the blood coag... | 9871532 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871532 | 10.1016/s0960-894x(98)00114-0 | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine