Compound Detail
CHEMBL2371388
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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CN(C)C(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL2371388 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ISVKMWBCEDWCIW-PDKVZSHVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
871.0
MW (Da)
-1.84
ALogP
12
HBA
10
HBD
304.6
PSA (Ų)
0.06
QED
3
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | Kd | 8.78 | 8.78 | 1.7 | 1 |
| Unchecked CHEMBL612545 | Kd | 8.78 | 8.78 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | Kd | = | 1.66 | nM | 8.78 | In vitro antagonist activity against Angiotensin II receptor was measured in the... | 3351849 |
| Unchecked | Kd | = | 1.66 | nM | 8.78 | Competitive antagonist at angiotensin 2 receptor in rabbit aorta assessed as rig... | 894674 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 894674 | 10.1021/jm00218a012 | No relevant target | 6 |
| 894674 | 10.1021/jm00218a012 | Rattus norvegicus | 5 |
| 894674 | 10.1021/jm00218a012 | Unchecked | 3 |
| 3351849 | 10.1021/jm00399a008 | Oryctolagus cuniculus | 1 |
| 3351849 | 10.1021/jm00399a008 | Angiotensin II receptor | 1 |
| 894674 | 10.1021/jm00218a012 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine