Compound Detail
CHEMBL126301
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Basic Information
| ChEMBL ID | CHEMBL126301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTNBOXUMZHVYLD-ZXVVBBHZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
411.6
MW (Da)
5.90
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 350.0 | nM | 6.46 | Concentration required for inhibition of electrically stimulated contraction of ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00040-Z | Mus musculus | 2 |
| - | 10.1016/0960-894X(95)00040-Z | Prostaglandin-H2 D-isomerase | 1 |
| - | 10.1016/0960-894X(95)00040-Z | Cannabinoid receptor | 1 |
Data from ChEMBL 36 via Core Engine