Compound Detail
CHEMBL3276832
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CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C(=O)O)[C@@H](C)CC)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C
Basic Information
| ChEMBL ID | CHEMBL3276832 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | DWYDFADKJMLTGU-XLHBTRHGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
996.2
MW (Da)
-0.20
ALogP
12
HBA
11
HBD
337.5
PSA (Ų)
0.03
QED
3
Ro5 Violations
28
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 8.0 | 7.945 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 10.0 | nM | 8.0 | Antagonist activity at angiotensin AT2 receptor in isolated cat adrenal medulla | 2777 |
| Unchecked | Kd | = | 12.88 | nM | 7.89 | Antagonist activity at angiotensin AT2 receptor in rabbit aortic strips assessed... | 2777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2777 | 10.1021/jm00224a009 | Rattus norvegicus | 9 |
| 2777 | 10.1021/jm00224a009 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine