Compound Detail
CHEMBL2371409
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CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)[C@@H](C)CC)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2371409 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | MOLXDYACMRLMMF-GIBVOHFOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
897.1
MW (Da)
-0.47
ALogP
11
HBA
11
HBD
342.4
PSA (Ų)
0.03
QED
3
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | Kd | 7.75 | 7.75 | 17.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | Kd | = | 17.78 | nM | 7.75 | In vitro antagonist activity against Angiotensin II receptor was measured in the... | 3351849 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3351849 | 10.1021/jm00399a008 | Rattus norvegicus | 2 |
| 3351849 | 10.1021/jm00399a008 | Oryctolagus cuniculus | 1 |
| 3351849 | 10.1021/jm00399a008 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine