Compound Detail
CHEMBL5219283
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Basic Information
| ChEMBL ID | CHEMBL5219283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZPNUWRDSBFEFS-ZSAATHKPSA-M |
| Parent Compound | CHEMBL428650 |
| Active Moiety | CHEMBL428650 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
186.2
MW (Da)
-0.05
ALogP
3
HBA
2
HBD
83.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| SMMC-7721 CHEMBL613831 | IC50 | 4.9 | 4.9 | 12500.0 | 1 |
| Bel-7402 CHEMBL614279 | IC50 | 4.9 | 4.9 | 12500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 12000.0 | nM | 4.92 | Anticancer activity against human Liver cancer cell assessed as cell growth inhi... | 33454654 |
| SMMC-7721 | IC50 | = | 12500.0 | nM | 4.9 | Anticancer activity against human SMMC-7721 cell assessed as cell growth inhibit... | 33454654 |
| Bel-7402 | IC50 | = | 12500.0 | nM | 4.9 | Anticancer activity against human Bel-7402 cell assessed as cell growth inhibiti... | 33454654 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33454654 | 10.1016/j.bmc.2021.116012 | Homo sapiens | 1 |
| 33454654 | 10.1016/j.bmc.2021.116012 | SMMC-7721 | 1 |
| 33454654 | 10.1016/j.bmc.2021.116012 | Bel-7402 | 1 |
Data from ChEMBL 36 via Core Engine