Compound Detail
CHEMBL289612
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Basic Information
| ChEMBL ID | CHEMBL289612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRGBOADWPVFNEG-ZIKUKRDVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
411.6
MW (Da)
5.57
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ishikawa CHEMBL614649 | EC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ishikawa | EC50 | = | 17.0 | nM | 7.77 | Concentration of compound required to induce 50 % of the maximum stimulation of ... | 8201587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8201587 | 10.1021/jm00037a002 | Ishikawa | 2 |
Data from ChEMBL 36 via Core Engine