Compound Detail
CHEMBL358791
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Cc1cc(Sc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)c2ccccc2n1
Basic Information
| ChEMBL ID | CHEMBL358791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKNAPMCHHGHEOE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
637.8
MW (Da)
9.86
ALogP
6
HBA
0
HBD
56.5
PSA (Ų)
0.16
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | IC50 | = | 4700.0 | nM | 5.33 | Displacement of [3H]-AII from the Angiotensin II receptor isolated from the live... | 7473594 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473594 | 10.1021/jm00023a006 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine