Compound Detail
CHEMBL170290
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Cc1cc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1NCCCCCCNC(=O)CCNc1ccc([N+](=O)[O-])c2nonc12
Basic Information
| ChEMBL ID | CHEMBL170290 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSHUXWQVOSVLFN-LHEWISCISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
813.9
MW (Da)
6.44
ALogP
12
HBA
4
HBD
210.7
PSA (Ų)
0.04
QED
3
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | IC50 | = | 3.6 | nM | 8.44 | The compound was evaluated for the inhibition of binding of [125I]-CGP 42112A to... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80690-3 | Type-2 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(00)80690-3 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine