Compound Detail
CHEMBL77827
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CCCCc1c(Oc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)nc2c(C(=O)O)c(F)ccc2[n+]1[O-]
Basic Information
| ChEMBL ID | CHEMBL77827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEAFTSPISAWNMW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
500.5
MW (Da)
4.69
ALogP
7
HBA
2
HBD
140.8
PSA (Ų)
0.23
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | Ki | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | Ki | = | 9.0 | nM | 8.05 | Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical mem... | 8360878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8360878 | 10.1021/jm00068a010 | Angiotensin II receptor (AT-1) type-1 | 1 |
| 8360878 | 10.1021/jm00068a010 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine