Compound Detail
CHEMBL70992
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Basic Information
| ChEMBL ID | CHEMBL70992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDQSPBFAXSGYHD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
4.70
ALogP
4
HBA
0
HBD
60.4
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 1400.0 | nM | 5.85 | In vitro concentration that reduced U-44069-induced contraction of the rabbit ao... | 2769691 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2769691 | 10.1021/jm00129a030 | Oryctolagus cuniculus | 3 |
Data from ChEMBL 36 via Core Engine