Compound Detail
CHEMBL5561036
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CN1C(=O)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccc(-c3ccccc3F)cc21
Basic Information
| ChEMBL ID | CHEMBL5561036 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHDPGNSLHMWIPJ-FQEVSTJZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
471.5
MW (Da)
3.36
ALogP
5
HBA
2
HBD
100.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | EC50 | 8.12 | 8.12 | 7.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | EC50 | = | 7.6 | nM | 8.12 | Anti-necroptic activity against human HT-29 cells assessed as cell viability pre... | 38309200 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38309200 | 10.1016/j.bmc.2024.117611 | HT-29 | 2 |
Data from ChEMBL 36 via Core Engine