Compound Detail
CHEMBL348763
CLENTIAZEM 🧪 Phase II
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🧪 Phase II
COc1ccc([C@@H]2Sc3cc(Cl)ccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1
Basic Information
| ChEMBL ID | CHEMBL348763 |
| Name | CLENTIAZEM |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | GYKFWCDBQAFCLJ-RTWAWAEBSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
1
Known Names
Molecular Properties
449.0
MW (Da)
4.02
ALogP
6
HBA
0
HBD
59.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 3 meas. best 7.0
Kd 2 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 7.09 | 7.055 | 81.0 | 2 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 7.0 | 6.8733 | 100.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 81.0 | nM | 7.09 | In Vitro evaluation for the affinity for the diltiazem receptor in isolated guin... | 1542102 |
| Unchecked | Kd | = | 95.0 | nM | 7.02 | In Vitro evaluation for the affinity for the diltiazem receptor in isolated guin... | 1542102 |
| Oryctolagus cuniculus | IC50 | = | 100.0 | nM | 7.0 | In vitro evaluation for the vasorelaxant effects in circumferential strips of po... | 1542103 |
| Oryctolagus cuniculus | IC50 | = | 100.0 | nM | 7.0 | In vitro evaluation for the vasorelaxant effects in circumferential strips of po... | 1542102 |
| Oryctolagus cuniculus | IC50 | = | 240.0 | nM | 6.62 | In vitro evaluation for the vasorelaxant effects in circumferential strips of po... | 1542102 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| 1542103 | 10.1021/jm00082a019 | NON-PROTEIN TARGET | 3 |
| 1542102 | 10.1021/jm00082a018 | Rattus norvegicus | 3 |
| 1542102 | 10.1021/jm00082a018 | Oryctolagus cuniculus | 2 |
| 1542102 | 10.1021/jm00082a018 | Unchecked | 2 |
| 1542103 | 10.1021/jm00082a019 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine