Compound Detail
CHEMBL429597
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Basic Information
| ChEMBL ID | CHEMBL429597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPXQDWLBSHVOEI-NRFANRHFSA-N |
2
Targets
5
Activities
3
Assay Types
0
PK Parameters
13
Publications
1
Known Names
Molecular Properties
377.5
MW (Da)
4.43
ALogP
3
HBA
2
HBD
63.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.68
Ki 2 meas. best 7.87
IC50 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF11 CHEMBL4581 | Ki | 7.87 | 7.435 | 13.6 | 2 |
| Kinesin-like protein KIF11 CHEMBL4581 | IC50 | 7.21 | 7.21 | 61.7 | 1 |
| HeLa CHEMBL399 | EC50 | 6.68 | 6.58 | 210.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF11 | Ki | = | 13.6 | nM | 7.87 | Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino ... | 22248262 |
| Kinesin-like protein KIF11 | IC50 | = | 61.7 | nM | 7.21 | Inhibition of C-terminal His6-tagged human Eg5 microtubule-stimulated ATPase act... | 21344920 |
| Kinesin-like protein KIF11 | Ki | = | 100.0 | nM | 7.0 | Inhibition of human Eg5 basal ATPase activity | 18266314 |
| HeLa | EC50 | = | 210.0 | nM | 6.68 | Induction of mitotic arrest in human HeLa cells assessed as monoastral spindle f... | 18266314 |
| HeLa | EC50 | = | 330.0 | nM | 6.48 | Induction of mitotic arrest in human HeLa cells after 24 hrs | 18266314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21344920 | 10.1021/jm100991m | NON-PROTEIN TARGET | 6 |
| 18266314 | 10.1021/jm070606z | HeLa | 5 |
| 21344920 | 10.1021/jm100991m | LLC-PK1 | 3 |
| 21344920 | 10.1021/jm100991m | Kinesin-like protein KIF11 | 2 |
| 22280819 | 10.1016/j.ejmech.2012.01.010 | Hepatitis C virus | 2 |
| 18266314 | 10.1021/jm070606z | Kinesin-like protein KIF11 | 1 |
| 21344920 | 10.1021/jm100991m | MDCK-II | 1 |
| 22248262 | 10.1021/jm201195m | K562 | 1 |
| 22248262 | 10.1021/jm201195m | Kinesin-like protein KIF11 | 1 |
| 22248262 | 10.1021/jm201195m | HCT-116 | 1 |
| 22248262 | 10.1021/jm201195m | ADMET | 1 |
| 22248262 | 10.1021/jm201195m | NCI-H1299 | 1 |
| 22248262 | 10.1021/jm201195m | BXPC-3 | 1 |
Data from ChEMBL 36 via Core Engine