Compound Detail
CHEMBL230593
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Basic Information
| ChEMBL ID | CHEMBL230593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUHVCGKIRQEOHA-SAPNQHFASA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
284.4
MW (Da)
2.27
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.4
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-N-MC | IC50 | = | 4.0 | nM | 8.4 | Antiproliferative activity against human SK-N-MC cells after 72 hrs by MTT assay | 17602603 |
| SK-N-MC | IC50 | = | 5.0 | nM | 8.3 | Cytotoxicity against human SK-N-MC cells assessed as growth inhibition after 72 ... | 23276209 |
| SK-N-MC | IC50 | = | 9.0 | nM | 8.05 | Antiproliferative activity against human SK-N-MC cells after 72 hrs by MTS assay | 21846118 |
| MRC5 | IC50 | = | 1012.0 | nM | 6.0 | Cytotoxicity against human MRC5 cells after 72 hrs by MTS assay | 21846118 |
| MRC5 | IC50 | = | 1012.0 | nM | 6.0 | Cytotoxicity against human MRC5 cells assessed as growth inhibition after 72 hrs... | 23276209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 21846118 | 10.1021/jm200924c | ADMET | 1 |
| 21846118 | 10.1021/jm200924c | MRC5 | 1 |
| 23276209 | 10.1021/jm301691s | No relevant target | 1 |
| 23276209 | 10.1021/jm301691s | ADMET | 1 |
| 23276209 | 10.1021/jm301691s | MRC5 | 1 |
| 23276209 | 10.1021/jm301691s | SK-N-MC | 1 |
Data from ChEMBL 36 via Core Engine