Compound Detail
CHEMBL4438122
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CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL4438122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDAXGBOWJLPIHQ-JKXTZXEVSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
941.1
MW (Da)
-2.83
ALogP
13
HBA
14
HBD
381.1
PSA (Ų)
0.02
QED
3
Ro5 Violations
28
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor A CHEMBL329 | EC50 | 7.96 | 7.685 | 11.0 | 2 |
| Type-1 angiotensin II receptor CHEMBL227 | EC50 | 7.36 | 7.36 | 44.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor A | EC50 | = | 11.0 | nM | 7.96 | Agonist activity at rat AT1aR expressed in HEK293 cells incubated for 30 mins by... | - |
| Type-1 angiotensin II receptor A | EC50 | = | 39.0 | nM | 7.41 | Agonist activity at rat AT1aR expressed in HEK293 cells incubated for 60 mins by... | - |
| Type-1 angiotensin II receptor | EC50 | = | 44.0 | nM | 7.36 | Agonist activity at human AT1 receptor assessed as increase in beta-arrestin rec... | 29939744 |
| Type-1 angiotensin II receptor | EC50 | = | 44.0 | nM | 7.36 | Agonist activity at human AT1R expressed in HEK293 cells incubated for 60 mins b... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29939744 | 10.1021/acs.jmedchem.8b00435 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine