Compound Detail
CHEMBL309489
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CCCCc1nc2ccc(OCC)c(C(=O)O)c2nc1Oc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL309489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFZLRWSDSFLUMN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
510.6
MW (Da)
5.71
ALogP
8
HBA
2
HBD
136.0
PSA (Ų)
0.24
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | Ki | 7.36 | 7.36 | 44.0 | 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 | = | 44.0 | nM | 7.36 | 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