Compound Detail
CHEMBL2370909
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CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2370909 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | YKBYJLKWQNNODE-BZGHAVQWSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
984.1
MW (Da)
-2.28
ALogP
13
HBA
13
HBD
394.9
PSA (Ų)
0.02
QED
3
Ro5 Violations
29
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor A CHEMBL329 | EC50 | 7.04 | 6.945 | 92.0 | 2 |
| Type-1 angiotensin II receptor CHEMBL227 | EC50 | 6.06 | 6.06 | 880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor A | EC50 | = | 92.0 | nM | 7.04 | Agonist activity at rat AT1aR expressed in HEK293 cells incubated for 30 mins by... | - |
| Type-1 angiotensin II receptor A | EC50 | = | 140.0 | nM | 6.85 | Agonist activity at rat AT1aR expressed in HEK293 cells incubated for 60 mins by... | - |
| Type-1 angiotensin II receptor | EC50 | = | 880.0 | nM | 6.06 | Agonist activity at human AT1R expressed in HEK293 cells incubated for 60 mins b... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2913307 | 10.1021/jm00122a030 | Type-2 angiotensin II receptor | 2 |
| 2913307 | 10.1021/jm00122a030 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine