Compound Detail
CHEMBL217659
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CCCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(C(=O)O)n(C)c(=O)c3ccccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL217659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUDQFUUZTCMUCN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
5.66
ALogP
6
HBA
1
HBD
90.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 8.21 | 8.21 | 6.2 | 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 | = | 6.2 | nM | 8.21 | Displacement of [125I]Sar1,Ile8-Ang2 from AT1 receptor in rat hepatic membrane | 17064065 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17064065 | 10.1021/jm0603163 | Angiotensin II receptor (AT-1) type-1 | 1 |
| 17064065 | 10.1021/jm0603163 | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine