Compound Detail
CHEMBL1668008
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CCCCc1nc(Cl)c2n1C(c1ccc(-c3ccccc3-c3nnn[nH]3)cc1)CC(C(=O)O)=C2
Basic Information
| ChEMBL ID | CHEMBL1668008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLJPFLDDHJGATF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
474.9
MW (Da)
5.19
ALogP
6
HBA
2
HBD
109.6
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | IC50 | = | 10.0 | nM | 8.0 | Binding affinity to angiotensin AT2 receptor | 21071232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine