Compound Detail
CHEMBL5562000
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Basic Information
| ChEMBL ID | CHEMBL5562000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSOGDEWXLISADW-ZCFIWIBFSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
299.8
MW (Da)
3.13
ALogP
4
HBA
1
HBD
54.9
PSA (Ų)
0.95
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.5417 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | EC50 | = | 400.0 | nM | 6.4 | Antiproliferative activity against human Jurkat cells assessed as reduction in c... | 38199165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38199165 | 10.1016/j.ejmech.2024.116123 | Jurkat | 1 |
| 38199165 | 10.1016/j.ejmech.2024.116123 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine