Compound Detail
CHEMBL3736440
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CCOc1nc2c(C)cc(C(=O)NC[C@H](C)c3ccccc3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL3736440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PERGYFHQWOPFRA-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
547.7
MW (Da)
6.69
ALogP
5
HBA
2
HBD
93.5
PSA (Ų)
0.20
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 8.14 | 8.14 | 7.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 7.3 | nM | 8.14 | Displacement of [125I]Sar1Ile8-Ang2 from human AT1 receptor expressed in CHO-K1 ... | 26397395 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26397395 | 10.1016/j.ejmech.2015.09.010 | Rattus norvegicus | 1 |
| 26397395 | 10.1016/j.ejmech.2015.09.010 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine