Compound Detail
CHEMBL129236
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL129236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMYRLHVRGXBMTQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.92
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5567 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Luciferin 4-monooxygenase CHEMBL5150 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of luciferin binding site of Photinus pyralis luciferase by competiti... | 19215089 |
| Luciferin 4-monooxygenase | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by com... | 19215089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19215089 | 10.1021/jm8014525 | Luciferin 4-monooxygenase | 5 |
| 9986708 | 10.1021/jm981076x | NCI | 2 |
| 9986708 | 10.1021/jm981076x | MCF7 | 1 |
| 9986708 | 10.1021/jm981076x | MDA-MB-468 | 1 |
Data from ChEMBL 36 via Core Engine