Compound Detail
CHEMBL4561366
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CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL4561366 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNTHWMGRAUMNFY-KOQODJNWSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
756.9
MW (Da)
1.27
ALogP
8
HBA
7
HBD
214.7
PSA (Ų)
0.17
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | EC50 | 6.17 | 6.17 | 680.0 | 1 |
| Type-1 angiotensin II receptor A CHEMBL329 | EC50 | 6.04 | 5.82 | 920.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | EC50 | = | 680.0 | nM | 6.17 | Agonist activity at human AT1R expressed in HEK293 cells incubated for 60 mins b... | - |
| Type-1 angiotensin II receptor A | EC50 | = | 920.0 | nM | 6.04 | Agonist activity at rat AT1aR expressed in HEK293 cells incubated for 30 mins by... | - |
| Type-1 angiotensin II receptor A | EC50 | = | 2500.0 | nM | 5.6 | Agonist activity at rat AT1aR expressed in HEK293 cells incubated for 60 mins by... | - |
Data from ChEMBL 36 via Core Engine