Compound Detail
CHEMBL3039733
CROBENETINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL3039733 |
| Name | CROBENETINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | VCCBCXVFGHTDQN-UODBTFMRSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
2
Known Names
Molecular Properties
379.5
MW (Da)
4.91
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 1 meas. best 6.49
Ki 1 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.37 | 7.37 | 43.0 | 1 |
| Glutathione hydrolase 1 proenzyme CHEMBL5696 | IC50 | 6.49 | 6.49 | 322.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 43.0 | nM | 7.37 | Displacement of 3[H]BTX from rat cerebral cortex sodium channel assessed as inhi... | 29908442 |
| Glutathione hydrolase 1 proenzyme | IC50 | = | 322.0 | nM | 6.49 | Inhibition of human GGT1 | 29908442 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29908442 | 10.1016/j.ejmech.2018.06.017 | Unchecked | 1 |
| 29908442 | 10.1016/j.ejmech.2018.06.017 | Glutathione hydrolase 1 proenzyme | 1 |
| 29908442 | 10.1016/j.ejmech.2018.06.017 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine