Compound Detail
CHEMBL159004
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CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2C(=O)c2cccc(-c3nn[nH]n3)c2)c1
Basic Information
| ChEMBL ID | CHEMBL159004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHEPQWYZEHGRBP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
4.48
ALogP
8
HBA
1
HBD
107.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 5.0 | nM | 8.3 | Inhibition of Angiotensin II receptor, type 1 | 8576904 |
| Type-2 angiotensin II receptor | IC50 | = | 130.0 | nM | 6.89 | Inhibitory activity at Angiotensin II type 2 receptor. | 8576904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8576904 | 10.1021/jm9504722 | Type-1 angiotensin II receptor | 1 |
| 8576904 | 10.1021/jm9504722 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine