Compound Detail
CHEMBL5268405
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Basic Information
| ChEMBL ID | CHEMBL5268405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQQHXJCIFGMUPY-SFHVURJKSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
354.3
MW (Da)
4.21
ALogP
3
HBA
2
HBD
55.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ceramide synthase 1 CHEMBL5291538 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| Ceramide synthase 1 CHEMBL5291526 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
| Ceramide synthase 6 CHEMBL5291517 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Ceramide synthase 2 CHEMBL5291518 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Ceramide synthase 2 CHEMBL5291553 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Ceramide synthase 5 CHEMBL5291555 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Ceramide synthase 4 CHEMBL5291570 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ceramide synthase 1 | IC50 | = | 460.0 | nM | 6.34 | Inhibition of mouse CerS1 | 33395289 |
| Ceramide synthase 1 | IC50 | = | 540.0 | nM | 6.27 | Inhibition of human CerS1 | 33395289 |
| Ceramide synthase 2 | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of human CerS2 | 33395289 |
| Ceramide synthase 2 | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of mouse CerS2 | 33395289 |
| Ceramide synthase 4 | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of human CerS4 | 33395289 |
| Ceramide synthase 5 | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of mouse CerS5 | 33395289 |
| Ceramide synthase 6 | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of human CerS6 | 33395289 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33395289 | 10.1021/acs.jmedchem.0c01664 | Ceramide synthase 1 | 2 |
| 33395289 | 10.1021/acs.jmedchem.0c01664 | Ceramide synthase 2 | 2 |
| 33395289 | 10.1021/acs.jmedchem.0c01664 | Ceramide synthase 4 | 1 |
| 33395289 | 10.1021/acs.jmedchem.0c01664 | Ceramide synthase 5 | 1 |
| 33395289 | 10.1021/acs.jmedchem.0c01664 | Ceramide synthase 6 | 1 |
Data from ChEMBL 36 via Core Engine