Compound Detail
CHEMBL291062
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Basic Information
| ChEMBL ID | CHEMBL291062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVEUGTDNSRXYGZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
397.9
MW (Da)
2.46
ALogP
5
HBA
2
HBD
117.0
PSA (Ų)
0.31
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 7.48 | 7.48 | 33.0 | 1 |
| Trypsin-2 CHEMBL3159 | Ki | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 33.0 | nM | 7.48 | Compound was tested in vitro for its ability to inhibit serine protease thrombin... | 9873397 |
| Trypsin-2 | Ki | = | 23000.0 | nM | 4.64 | Compound was tested in vitro for its ability to inhibit serine protease trypsin ... | 9873397 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873397 | 10.1016/s0960-894x(98)00290-x | Prothrombin | 1 |
| 9873397 | 10.1016/s0960-894x(98)00290-x | Coagulation factor X | 1 |
| 9873397 | 10.1016/s0960-894x(98)00290-x | Plasminogen | 1 |
| 9873397 | 10.1016/s0960-894x(98)00290-x | Urokinase-type plasminogen activator | 1 |
| 9873397 | 10.1016/s0960-894x(98)00290-x | Trypsin-2 | 1 |
| 9873397 | 10.1016/s0960-894x(98)00290-x | Chymotrypsin-C | 1 |
| 9873397 | 10.1016/s0960-894x(98)00290-x | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine