Compound Detail
CHEMBL4277308
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Basic Information
| ChEMBL ID | CHEMBL4277308 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXOHCQPYGGDAGK-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
295.7
MW (Da)
3.72
ALogP
2
HBA
2
HBD
61.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 5.07 | 5.07 | 8450.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 4.98 | 4.98 | 10520.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 4.83 | 4.83 | 14720.0 | 1 |
| BEL-7404 tumor cell line CHEMBL614280 | IC50 | 4.78 | 4.78 | 16540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 8450.0 | nM | 5.07 | Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay | 30092368 |
| SK-OV-3 | IC50 | = | 10520.0 | nM | 4.98 | Cytotoxicity against human SKOV3 cells after 48 hrs by MTT assay | 30092368 |
| NCI-H460 | IC50 | = | 14720.0 | nM | 4.83 | Cytotoxicity against human NCI-H460 cells after 48 hrs by MTT assay | 30092368 |
| BEL-7404 tumor cell line | IC50 | = | 16540.0 | nM | 4.78 | Cytotoxicity against human Bel7404 cells after 48 hrs by MTT assay | 30092368 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30092368 | 10.1016/j.ejmech.2018.07.066 | HepG2 | 51 |
| 30092368 | 10.1016/j.ejmech.2018.07.066 | Mus musculus | 15 |
| 30092368 | 10.1016/j.ejmech.2018.07.066 | NCI-H460 | 6 |
| 30092368 | 10.1016/j.ejmech.2018.07.066 | BEL-7404 tumor cell line | 2 |
| 30092368 | 10.1016/j.ejmech.2018.07.066 | SK-OV-3 | 1 |
| 30092368 | 10.1016/j.ejmech.2018.07.066 | L02 | 1 |
Data from ChEMBL 36 via Core Engine