Compound Detail
CHEMBL442071
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Basic Information
| ChEMBL ID | CHEMBL442071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKCWDEAIMIMCAK-NBVRZTHBSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
284.4
MW (Da)
2.32
ALogP
3
HBA
2
HBD
49.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.7
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-N-MC | IC50 | = | 2.0 | nM | 8.7 | Antiproliferative activity against human SK-N-MC cells after 72 hrs by MTT assay | 17602603 |
| SK-N-MC | IC50 | = | 3.0 | nM | 8.52 | Antiproliferative activity against human SK-N-MC cells after 72 hrs by MTT assay | 19216562 |
| SK-N-MC | IC50 | = | 12.0 | nM | 7.92 | Antiproliferative activity against human SK-N-MC cells after 72 hrs by MTS assay | 21846118 |
| SK-N-MC | IC50 | = | 12.0 | nM | 7.92 | Antiproliferative activity at human SK-N-MC cells after 72 hrs by MTT assay | 22861499 |
| SK-N-MC | IC50 | = | 14.0 | nM | 7.85 | Cytotoxicity against human SK-N-MC cells assessed as growth inhibition after 72 ... | 23276209 |
| MRC5 | IC50 | = | 738.0 | nM | 6.13 | Cytotoxicity against human MRC5 cells after 72 hrs by MTS assay | 21846118 |
| MRC5 | IC50 | = | 1489.0 | nM | 5.83 | Cytotoxicity against human MRC5 cells assessed as growth inhibition after 72 hrs... | 23276209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23276209 | 10.1021/jm301691s | ADMET | 5 |
| 21846118 | 10.1021/jm200924c | SK-N-MC | 3 |
| 17602603 | 10.1021/jm070445z | SK-N-MC | 1 |
| 17602603 | 10.1021/jm070445z | MRC5 | 1 |
| 17602603 | 10.1021/jm070445z | No relevant target | 1 |
| 19216562 | 10.1021/jm801585u | SK-N-MC | 1 |
| 19216562 | 10.1021/jm801585u | No relevant target | 1 |
| 19216562 | 10.1021/jm801585u | Serotransferrin | 1 |
| 21846118 | 10.1021/jm200924c | ADMET | 1 |
| 21846118 | 10.1021/jm200924c | MRC5 | 1 |
| 22861499 | 10.1021/jm300768u | SK-N-MC | 1 |
| 23276209 | 10.1021/jm301691s | MRC5 | 1 |
| 23276209 | 10.1021/jm301691s | SK-N-MC | 1 |
Data from ChEMBL 36 via Core Engine