Compound Detail
CHEMBL396985
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Basic Information
| ChEMBL ID | CHEMBL396985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAGRYEABVYHANL-RELWKKBWSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
3.82
ALogP
3
HBA
2
HBD
49.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.3
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-N-MC | IC50 | = | 5.0 | nM | 8.3 | Antiproliferative activity against human SK-N-MC cells after 72 hrs by MTT assay | 17602603 |
| SK-N-MC | IC50 | = | 16.0 | nM | 7.8 | Cytotoxicity against human SK-N-MC cells assessed as growth inhibition after 72 ... | 23276209 |
| MRC5 | IC50 | = | 571.0 | nM | 6.24 | Cytotoxicity against human MRC5 cells assessed as growth inhibition after 72 hrs... | 23276209 |
| K562 | IC50 | = | 1430.0 | nM | 5.84 | Cytotoxicity against human K562 cells after 48 hrs by MTT assay | 20434816 |
| Unchecked | IC50 | = | 1430.0 | nM | 5.84 | Cytotoxicity against mouse HL-1 cells assessed as cell viability incubated for 2... | 37300915 |
| K562 | IC50 | = | 1430.0 | nM | 5.84 | Antiproliferative activity against human K562 cells assessed as reduction in cel... | 37300915 |
| MRC5 | IC50 | = | 1860.0 | nM | 5.73 | Antiproliferative activity against human MRC5 cells after 72 hrs by MTT assay | 17602603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23276209 | 10.1021/jm301691s | ADMET | 5 |
| 17602603 | 10.1021/jm070445z | SK-N-MC | 1 |
| 17602603 | 10.1021/jm070445z | MRC5 | 1 |
| 17602603 | 10.1021/jm070445z | No relevant target | 1 |
| 20434816 | 10.1016/j.ejmech.2010.04.009 | K562 | 1 |
| 23276209 | 10.1021/jm301691s | MRC5 | 1 |
| 23276209 | 10.1021/jm301691s | SK-N-MC | 1 |
| 37300915 | 10.1016/j.ejmech.2023.115544 | Unchecked | 1 |
| 37300915 | 10.1016/j.ejmech.2023.115544 | K562 | 1 |
Data from ChEMBL 36 via Core Engine