Compound Detail
CHEMBL17196
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Basic Information
| ChEMBL ID | CHEMBL17196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKMJVIHNEUCECB-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
4.71
ALogP
6
HBA
3
HBD
110.0
PSA (Ų)
0.28
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.36
Kd 1 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | Kd | 8.32 | 8.32 | 4.8 | 1 |
| Neuropeptide Y receptor type 5 CHEMBL4561 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | Kd | = | 4.786 | nM | 8.32 | Displacement of angiotensin II from angiotensin II receptor of rabbit aorta | - |
| Neuropeptide Y receptor type 5 | IC50 | = | 44.0 | nM | 7.36 | Antagonistic activity against neuropeptide Y receptor type 5 subtype stably expr... | 10866375 |
| Unchecked | IC50 | = | 150.0 | nM | 6.82 | In vitro for inhibition of specific binding of [125I]-angiotensin II (0.02 nM) t... | 8510105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80018-9 | Angiotensin II receptor | 1 |
| 8510105 | 10.1021/jm00064a011 | Unchecked | 1 |
| 8510105 | 10.1021/jm00064a011 | Angiotensin II receptor | 1 |
| 10866375 | 10.1016/s0960-894x(00)00177-3 | Neuropeptide Y receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine