Compound Detail
CHEMBL3394207
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Basic Information
| ChEMBL ID | CHEMBL3394207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COJDOSNZZIULHS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
469.6
MW (Da)
5.01
ALogP
6
HBA
1
HBD
90.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL4607 | Ki | 7.91 | 7.91 | 12.3 | 2 |
| Unchecked CHEMBL612545 | Ki | 7.91 | 7.91 | 12.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 12.3 | nM | 7.91 | Displacement of [125I]-Ang II from AT2 receptor in pig uterus myometrial membran... | 25699147 |
| Type-2 angiotensin II receptor | Ki | = | 12.3 | nM | 7.91 | Binding affinity to type-2 angiotensin-2 receptor (unknown origin) | 26810314 |
| Type-2 angiotensin II receptor | Ki | = | 12.3 | nM | 7.91 | Binding affinity to angiotensin II receptor (unknown origin) | 26390077 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25699147 | 10.1021/ml500427r | Type-2 angiotensin II receptor | 3 |
| 25699147 | 10.1021/ml500427r | Unchecked | 1 |
| 26810314 | 10.1016/j.bmcl.2015.10.084 | Type-2 angiotensin II receptor | 1 |
| 26810314 | 10.1016/j.bmcl.2015.10.084 | Unchecked | 1 |
| 26390077 | 10.1021/acs.jmedchem.5b00982 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine