Compound Detail
CHEMBL4542269
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CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](CCCCN)CN[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4542269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WITXJJDPJNBPCA-HQFQCTFSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
877.1
MW (Da)
-2.26
ALogP
12
HBA
13
HBD
343.8
PSA (Ų)
0.02
QED
3
Ro5 Violations
29
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | EC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | EC50 | = | 17.0 | nM | 7.77 | Agonist activity at human AT1 receptor assessed as increase in beta-arrestin rec... | 29939744 |
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