Compound Detail
CHEMBL408595
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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]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL408595 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | PXGJSEILCJTVCL-LMXUZNBISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
952.1
MW (Da)
-1.63
ALogP
12
HBA
11
HBD
348.8
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 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | Kd | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | Kd | = | 1.995 | nM | 8.7 | In vitro antagonist activity (ANG II like) expressed as percent activity relativ... | 1920354 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1920354 | 10.1021/jm00114a012 | Angiotensin II receptor | 4 |
| 2913307 | 10.1021/jm00122a030 | Type-2 angiotensin II receptor | 2 |
| 2913307 | 10.1021/jm00122a030 | Oryctolagus cuniculus | 1 |
| 2913307 | 10.1021/jm00122a030 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine