Compound Detail
CHEMBL4877658
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Basic Information
| ChEMBL ID | CHEMBL4877658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULSDKODADOGZQI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
3.56
ALogP
7
HBA
1
HBD
89.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | EC50 | 5.42 | 5.42 | 3810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | EC50 | = | 3810.0 | nM | 5.42 | Anti-necroptotic activity in human HT-29 cells assessed as inhibition of TNFalph... | 33730678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33730678 | 10.1016/j.ejmech.2021.113327 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine