Compound Detail
CHEMBL2288592
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 | CHEMBL2288592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMSJGHDALRIUAE-NEPJUHHUSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
3.29
ALogP
4
HBA
0
HBD
51.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotiana tabacum CHEMBL613059 | EC50 | 6.18 | 5.66 | 667.0 | 2 |
| HCT-116 CHEMBL394 | EC50 | 4.33 | 4.33 | 47000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotiana tabacum | EC50 | = | 667.0 | nM | 6.18 | Inhibition of Nicotiana tabacum (tobacco) root growth assessed as inhibition of ... | 11378362 |
| Nicotiana tabacum | EC50 | = | 7170.0 | nM | 5.14 | Inhibition of Nicotiana tabacum (tobacco) root growth assessed as inhibition of ... | 11378362 |
| HCT-116 | EC50 | = | 47000.0 | nM | 4.33 | Antitumor activity against Homo sapiens (human) HCT116 cells | 11378362 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11378362 | 10.1016/s0960-894x(01)00246-3 | HCT-116 | 2 |
| 11378362 | 10.1016/s0960-894x(01)00246-3 | Tubulin polymerization-promoting protein | 2 |
| 11378362 | 10.1016/s0960-894x(01)00246-3 | Nicotiana tabacum | 2 |
Data from ChEMBL 36 via Core Engine