Compound Detail
CHEMBL2261752
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CCCCc1nc2ccc(C)c(C(=O)OCC)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL2261752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDOIRUSWPIIYPL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
5.76
ALogP
7
HBA
1
HBD
98.6
PSA (Ų)
0.26
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3374 | IC50 | 6.04 | 6.04 | 910.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 912.01 | nM | 6.04 | Displacement of [125I]angiotensin 2 from type-1 angiotensin 2 receptor in Bos ta... | - |
| Type-1 angiotensin II receptor | IC50 | = | 910.0 | nM | 6.04 | Displacement of [125I]angiotensin 2 from type-1 angiotensin 2 receptor in Bos ta... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-009-9182-z | Type-1 angiotensin II receptor | 2 |
Data from ChEMBL 36 via Core Engine