Compound Detail
CHEMBL49954
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CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc(NC(=O)[C@H](Cc2cccs2)n2cccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL49954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUKJLFAEUAUNJO-NRFANRHFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
511.1
MW (Da)
5.91
ALogP
6
HBA
2
HBD
89.2
PSA (Ų)
0.26
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 6.17 | 6.17 | 670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | IC50 | = | 670.0 | nM | 6.17 | Binding affinity against angiotensin II receptor type 1 (AT1) from rat liver. | 8510101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8510101 | 10.1021/jm00064a007 | Type-1 angiotensin II receptor B | 1 |
Data from ChEMBL 36 via Core Engine