Compound Detail
CHEMBL194864
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NC(N)=NCCC[C@H](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 | CHEMBL194864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KONOAYSEVHPZMY-XYPUQJIVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
896.0
MW (Da)
0.13
ALogP
11
HBA
11
HBD
350.6
PSA (Ų)
0.03
QED
3
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL4607 | Ki | 7.38 | 7.38 | 41.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | Ki | = | 41.3 | nM | 7.38 | Binding affinity for angiotensin II receptor, type 2 in pig uterus myometrium us... | 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