Compound Detail
CHEMBL2022999
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Basic Information
| ChEMBL ID | CHEMBL2022999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNWPAIZRMSCBKP-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
359.5
MW (Da)
4.52
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.12
EC50 1 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF11 CHEMBL4581 | Ki | 8.12 | 8.065 | 7.5 | 2 |
| Kinesin-like protein KIF11 CHEMBL4581 | EC50 | 7.02 | 7.02 | 95.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF11 | Ki | = | 7.5 | nM | 8.12 | Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino ... | 22248262 |
| Kinesin-like protein KIF11 | Ki | = | 9.8 | nM | 8.01 | Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino ... | 22248262 |
| Kinesin-like protein KIF11 | EC50 | = | 95.0 | nM | 7.02 | Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino ... | 22248262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22248262 | 10.1021/jm201195m | Kinesin-like protein KIF11 | 3 |
| 22248262 | 10.1021/jm201195m | K562 | 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