Compound Detail
CHEMBL274466
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CCCCc1nc2ccc(C(OC)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL274466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEFISCXKEDAXEG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
556.7
MW (Da)
6.37
ALogP
7
HBA
1
HBD
98.6
PSA (Ų)
0.21
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | IC50 | = | 9000.0 | nM | 5.05 | Concentration required for 50% inhibition of binding against Angiotensin II rece... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80243-2 | Angiotensin II receptor | 1 |
| 29656203 | 10.1016/j.ejmech.2018.03.076 | Angiotensinogen | 1 |
| 29656203 | 10.1016/j.ejmech.2018.03.076 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine