Compound Detail
CHEMBL4160691
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CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)CC)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4160691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBQOLQPQZDHJOO-NYBVPFFCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
984.2
MW (Da)
-1.78
ALogP
13
HBA
14
HBD
389.3
PSA (Ų)
0.03
QED
3
Ro5 Violations
28
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | Ki | 8.87 | 8.87 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | Ki | = | 1.35 | nM | 8.87 | Displacement of [125I-Sar1-Ile8]-Ang2 from human angiotensin 2 receptor type 1 r... | 29329002 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29329002 | 10.1016/j.ejmech.2017.12.021 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine