Compound Detail
CHEMBL136980
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Basic Information
| ChEMBL ID | CHEMBL136980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDPJIHBCWSWMHS-MBNYWOFBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
1.97
ALogP
3
HBA
2
HBD
76.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | IC50 | = | 600.0 | nM | 6.22 | Inhibitory activity against human thrombin was determined | 10091697 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10091697 | 10.1016/s0960-894x(99)00002-5 | Prothrombin | 1 |
| 10091697 | 10.1016/s0960-894x(99)00002-5 | Serine protease 1 | 1 |
| 10091697 | 10.1016/s0960-894x(99)00002-5 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine