Compound Detail
CHEMBL4750447
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Basic Information
| ChEMBL ID | CHEMBL4750447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOKVKOGTMPSITM-BOXHHOBZSA-N |
| Parent Compound | CHEMBL4802740 |
| Active Moiety | CHEMBL4802740 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
422.6
MW (Da)
5.47
ALogP
5
HBA
2
HBD
97.0
PSA (Ų)
0.26
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.77
Ki 1 meas. best 10.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine kinase 2 CHEMBL3023 | Ki | 10.05 | 10.05 | 0.1 | 1 |
| Sphingosine kinase 2 CHEMBL3023 | EC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine kinase 2 | Ki | = | 0.09 | nM | 10.05 | Inhibition of recombinant human Sphk2 expressed in baculovirus infected Sf9 inse... | 33445156 |
| Sphingosine kinase 2 | EC50 | = | 170.0 | nM | 6.77 | Inhibition of recombinant human Sphk2 expressed in yeast strain KYA1 assessed as... | 33445156 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33445156 | 10.1016/j.ejmech.2020.113121 | Sphingosine kinase 2 | 5 |
| 33445156 | 10.1016/j.ejmech.2020.113121 | Sphingosine kinase 1 | 2 |
| 33445156 | 10.1016/j.ejmech.2020.113121 | Unchecked | 1 |
| 33445156 | 10.1016/j.ejmech.2020.113121 | Sphingosine kinase 1/2 | 1 |
Data from ChEMBL 36 via Core Engine