Compound Detail
CHEMBL385998
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N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL385998 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | PBVQWNDMFFCPIZ-ULQDDVLXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
0.08
ALogP
5
HBA
4
HBD
141.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | Ki | 5.8 | 5.8 | 1598.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | Ki | = | 1598.0 | nM | 5.8 | Displacement of [125I]Ang2 from AT1 receptor in rat liver membrane | 17358051 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17358051 | 10.1021/jm0613469 | Angiotensin II receptor (AT-1) type-1 | 1 |
| 17358051 | 10.1021/jm0613469 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine