Compound Detail
CHEMBL47908
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CN(C(=O)[C@H](Cc1ccc(C(=N)NN)s1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1
Basic Information
| ChEMBL ID | CHEMBL47908 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXQYJAKWFMZJKT-NRFANRHFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
499.7
MW (Da)
2.98
ALogP
6
HBA
4
HBD
128.4
PSA (Ų)
0.16
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 7.04 | 7.04 | 91.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 91.0 | nM | 7.04 | Compound was evaluated for its inhibitory activity against human thrombin | 9873414 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873414 | 10.1016/s0960-894x(98)00293-5 | Prothrombin | 1 |
| 9873414 | 10.1016/s0960-894x(98)00293-5 | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine