Compound Detail
CHEMBL332962
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CCOC(=O)/C=C1\C2C(C(=O)N1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C1C=CC2(OC)CC1
Basic Information
| ChEMBL ID | CHEMBL332962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHTIVCURWASWLC-XQNSMLJCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
3.92
ALogP
7
HBA
1
HBD
110.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | Kd | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | Kd | = | 5.012 | nM | 8.3 | Tested for inhibitory activity against angiotensin II induced contraction in rab... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80914-8 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine