Compound Detail
CHEMBL164215
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O=C(O)c1nc(Cl)c(/C=N\NS(=O)(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL164215 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMSOILZJMKVZDR-VYYCAZPPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
563.0
MW (Da)
3.44
ALogP
9
HBA
3
HBD
168.1
PSA (Ų)
0.18
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 6.22 | 6.22 | 600.0 | 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 | = | 600.0 | nM | 6.22 | Inhibitory concentration that gives 50% displacement of specific binding at labe... | 12593652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12593652 | 10.1021/jm021032v | Angiotensin II receptor (AT-1) type-1 | 1 |
Data from ChEMBL 36 via Core Engine