Compound Detail
CHEMBL5090109
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Basic Information
| ChEMBL ID | CHEMBL5090109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYPBEKFVSHAHBO-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
5.02
ALogP
2
HBA
1
HBD
39.3
PSA (Ų)
0.51
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Huh-7 CHEMBL614039 | IC50 | 6.13 | 6.13 | 740.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.62 | 5.62 | 2390.0 | 1 |
| HGC-27 CHEMBL1075463 | IC50 | 5.31 | 5.31 | 4860.0 | 1 |
| GES1 CHEMBL4296415 | IC50 | 5.31 | 5.31 | 4860.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 5.21 | 5.21 | 6110.0 | 1 |
| HCCLM9 CHEMBL5209889 | IC50 | 5.01 | 5.01 | 9820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Huh-7 | IC50 | = | 740.0 | nM | 6.13 | Antiproliferative activity against human Huh-7 cells assessed as reduction in ce... | 36549115 |
| HepG2 | IC50 | = | 2390.0 | nM | 5.62 | Antiproliferative activity against human HepG2 cells assessed as reduction in ce... | 36549115 |
| HGC-27 | IC50 | = | 4860.0 | nM | 5.31 | Antiproliferative activity against human HGC-27 cells assessed as reduction in c... | 34774339 |
| GES1 | IC50 | = | 4860.0 | nM | 5.31 | Antiproliferative activity against human GES1 cells assessed as inhibition of ce... | 34990980 |
| HT-29 | IC50 | = | 6110.0 | nM | 5.21 | Antiproliferative activity against human HT-29 cells assessed as inhibition of c... | 34990980 |
| HCCLM9 | IC50 | = | 9820.0 | nM | 5.01 | Antiproliferative activity against human HCCLM9 cells assessed as reduction in c... | 36549115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34774339 | 10.1016/j.ejmech.2021.113960 | SGC-7901 | 1 |
| 34774339 | 10.1016/j.ejmech.2021.113960 | MGC-803 | 1 |
| 34774339 | 10.1016/j.ejmech.2021.113960 | HGC-27 | 1 |
| 34774339 | 10.1016/j.ejmech.2021.113960 | GES1 | 1 |
| 34990980 | 10.1016/j.bmc.2021.116595 | GES1 | 1 |
| 34990980 | 10.1016/j.bmc.2021.116595 | HGC-27 | 1 |
| 34990980 | 10.1016/j.bmc.2021.116595 | HT-29 | 1 |
| 34990980 | 10.1016/j.bmc.2021.116595 | HepG2 | 1 |
| 34990980 | 10.1016/j.bmc.2021.116595 | A549 | 1 |
| 34990980 | 10.1016/j.bmc.2021.116595 | MCF7 | 1 |
| 36549115 | 10.1016/j.ejmech.2022.115031 | HCCLM9 | 1 |
| 36549115 | 10.1016/j.ejmech.2022.115031 | Huh-7 | 1 |
| 36549115 | 10.1016/j.ejmech.2022.115031 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine