Compound Detail
CHEMBL491458
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Nc1nc(N2CCCCC2)nc2c1c(=O)c(C(=O)NCc1ccc(-n3ccnc3)cc1)cn2CC1CCCO1
Basic Information
| ChEMBL ID | CHEMBL491458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBTKEQMMDLNZJB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
528.6
MW (Da)
2.66
ALogP
10
HBA
2
HBD
133.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine-1-phosphate lyase 1 CHEMBL5009 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 989576.64 | ng.hr.mL-1 | Mus musculus |
| Cmax | 451000.0 | nM | Mus musculus |
| F | 100.0 | % | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine-1-phosphate lyase 1 | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of sphingosine-1-phosphate lyase in mouse spleen by scintillation cou... | 19489538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19489538 | 10.1021/jm900278w | Mus musculus | 5 |
| 19489538 | 10.1021/jm900278w | Plasma | 1 |
| 19489538 | 10.1021/jm900278w | Sphingosine-1-phosphate lyase 1 | 1 |
Data from ChEMBL 36 via Core Engine