Compound Detail
CHEMBL276163
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CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL276163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTLACNATCIDGRQ-ZYWZKTPASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
995.1
MW (Da)
0.27
ALogP
12
HBA
12
HBD
379.7
PSA (Ų)
0.02
QED
3
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL4607 | Ki | 8.01 | 8.01 | 9.8 | 1 |
| Type-1 angiotensin II receptor B CHEMBL263 | Ki | 7.52 | 7.52 | 30.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | Ki | = | 9.8 | nM | 8.01 | Binding affinity for angiotensin II receptor, type 2 in pig uterus myometrium us... | 16220978 |
| Type-1 angiotensin II receptor B | Ki | = | 30.3 | nM | 7.52 | Binding affinity for angiotensin II receptor, type 1 in rat liver membrane using... | 16220978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16220978 | 10.1021/jm050280z | Type-1 angiotensin II receptor B | 1 |
| 16220978 | 10.1021/jm050280z | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine