Compound Detail
CHEMBL3350599
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CC[C@H](C)[C@H](NC(=O)[C@H](N)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3350599 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | XBEQFYZEXZOBHW-GCEBPVJJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
965.1
MW (Da)
-2.07
ALogP
12
HBA
12
HBD
385.9
PSA (Ų)
0.02
QED
3
Ro5 Violations
27
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL4607 | Ki | 9.15 | 9.15 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | Ki | = | 0.7 | nM | 9.15 | 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