Compound Detail
CHEMBL418565
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Basic Information
| ChEMBL ID | CHEMBL418565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMSHZWFCVXIDEO-UHFFFAOYSA-N |
2
Targets
5
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
2.51
ALogP
9
HBA
1
HBD
105.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.05
EC50 1 meas. best 8.22
Ki 1 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | EC50 | 8.22 | 8.22 | 6.0 | 1 |
| P388 CHEMBL389 | IC50 | 8.05 | 7.97 | 8.9 | 2 |
| Tubulin alpha chain CHEMBL3658 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| Tubulin alpha chain CHEMBL3658 | Ki | 6.12 | 6.12 | 750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | EC50 | = | 6.0 | nM | 8.22 | The compound was evaluated in vitro for the P388 cell spindle disruption.; 0.006... | - |
| P388 | IC50 | = | 8.9 | nM | 8.05 | The compound was evaluated in vitro for the inhibition of murine leukemia P388D1... | - |
| P388 | IC50 | = | 13.0 | nM | 7.89 | The compound was evaluated in vitro for the inhibition of P388D1 cell colony for... | - |
| Tubulin alpha chain | IC50 | = | 310.0 | nM | 6.51 | In vitro mammalian brain tubulin polymerization using standard assay. | - |
| Tubulin alpha chain | Ki | = | 750.0 | nM | 6.12 | Compound was tested for competitive inhibition with radioligand [3H]colchicine a... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80225-5 | P388 | 7 |
| - | 10.1016/S0960-894X(00)80225-5 | Tubulin alpha chain | 3 |
Data from ChEMBL 36 via Core Engine