Compound Detail
CHEMBL495798
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Basic Information
| ChEMBL ID | CHEMBL495798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGBSGZPIDCXNEH-QFIPXVFZSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
435.6
MW (Da)
6.63
ALogP
4
HBA
0
HBD
55.8
PSA (Ų)
0.20
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.48
Ki 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine kinase 1 CHEMBL4394 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
| Sphingosine kinase 1 CHEMBL4394 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine kinase 1 | Ki | = | 3000.0 | nM | 5.52 | Inhibition of EGFP-fused human SPHK1 expressed in CHO cells using D-erythro-sphi... | 19469544 |
| Sphingosine kinase 1 | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of EGFP-fused human SPHK1 expressed in CHO cells | 19469544 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19469544 | 10.1021/jm900121d | Sphingosine kinase 1 | 5 |
| 19469544 | 10.1021/jm900121d | Sphingosine kinase 2 | 2 |
| 19469544 | 10.1021/jm900121d | U-937 | 2 |
| 19469544 | 10.1021/jm900121d | Protein kinase C alpha type | 1 |
| 19469544 | 10.1021/jm900121d | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine