Compound Detail
CHEMBL5205276
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Basic Information
| ChEMBL ID | CHEMBL5205276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHXTXRZADPVWNK-AWDFDDCISA-N |
| Parent Compound | CHEMBL5222733 |
| Active Moiety | CHEMBL5222733 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.3
MW (Da)
4.26
ALogP
5
HBA
1
HBD
68.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 8.17 | 8.17 | 6.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 6.7 | nM | 8.17 | Inhibition of S1PR1 (unknown origin) | 34905377 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34905377 | 10.1021/acs.jmedchem.1c01571 | Sphingosine 1-phosphate receptor 1 | 1 |
| 34905377 | 10.1021/acs.jmedchem.1c01571 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine