Compound Detail
CHEMBL432145
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CCc1nc2c(C)cc(C)nc2n1Cc1ccc(C(c2ccccc2)C(Cc2ccccc2)C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL432145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIIGDQOKPPYLKG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
6.73
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.24
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 200.0 | nM | 6.7 | Inhibitory concentration was evaluated by measuring displacement of [3H]AII from... | 8667363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8667363 | 10.1021/jm9508853 | Angiotensin II receptor (AT-1) type-1 | 1 |
| 8667363 | 10.1021/jm9508853 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine