Compound Detail
CHEMBL284469
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O=C(O)c1ccccc1-c1ccc(-c2nc3ccc([N+](=O)[O-])cc3c(=O)n2Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL284469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFHQOVAGGCOYTF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
621.6
MW (Da)
6.23
ALogP
9
HBA
2
HBD
169.8
PSA (Ų)
0.15
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 6.03 | 6.03 | 940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 940.0 | nM | 6.03 | Ability to displace [125I]Sar1-Ile8-AII from angiotensin II receptor, type 1 in ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80335-2 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine