Compound Detail
CHEMBL241908
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Basic Information
| ChEMBL ID | CHEMBL241908 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMHGGQSGDKMLCZ-UXBLZVDNSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
281.7
MW (Da)
4.76
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-N-MC CHEMBL614163 | IC50 | 6.16 | 6.1267 | 700.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-N-MC | IC50 | = | 700.0 | nM | 6.16 | Cytotoxicity against human SK-N-MC cells after 72 hrs by MTT assay | 20303768 |
| SK-N-MC | IC50 | = | 770.0 | nM | 6.11 | Antiproliferative activity against human SK-N-MC cells by MTT assay | 17142046 |
| SK-N-MC | IC50 | = | 770.0 | nM | 6.11 | Anticancer activity against human SK-N-MC cells assessed as inhibition of cell p... | 31158748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17142046 | 10.1016/j.bmc.2006.11.020 | No relevant target | 1 |
| 17142046 | 10.1016/j.bmc.2006.11.020 | Unchecked | 1 |
| 17142046 | 10.1016/j.bmc.2006.11.020 | SK-N-MC | 1 |
| 17142046 | 10.1016/j.bmc.2006.11.020 | Chlorella vulgaris | 1 |
| 20303768 | 10.1016/j.bmc.2010.02.025 | SK-N-MC | 1 |
| 20303768 | 10.1016/j.bmc.2010.02.025 | HCT-116 | 1 |
| 20303768 | 10.1016/j.bmc.2010.02.025 | ADMET | 1 |
| 20303768 | 10.1016/j.bmc.2010.02.025 | No relevant target | 1 |
| 31158748 | 10.1016/j.ejmech.2019.05.061 | SK-N-MC | 1 |
Data from ChEMBL 36 via Core Engine