Compound Detail
CHEMBL4581718
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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](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL4581718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGPJJWDHHVVIEM-MMYICMJWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
917.2
MW (Da)
-1.39
ALogP
11
HBA
12
HBD
340.6
PSA (Ų)
0.03
QED
3
Ro5 Violations
28
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor A CHEMBL329 | EC50 | 6.44 | 6.44 | 360.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | EC50 | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor A | EC50 | = | 360.0 | nM | 6.44 | Agonist activity at rat AT1aR expressed in HEK293 cells incubated for 30 mins by... | - |
| Type-1 angiotensin II receptor | EC50 | = | 4500.0 | nM | 5.35 | Agonist activity at human AT1R expressed in HEK293 cells incubated for 60 mins b... | - |
Data from ChEMBL 36 via Core Engine