Compound Detail
CHEMBL1089090
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Basic Information
| ChEMBL ID | CHEMBL1089090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUZLJWCISAMBTR-DHZHZOJOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
296.8
MW (Da)
4.46
ALogP
3
HBA
0
HBD
35.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-N-MC CHEMBL614163 | IC50 | 5.36 | 5.36 | 4340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-N-MC | IC50 | = | 4340.0 | nM | 5.36 | Cytotoxicity against human SK-N-MC cells after 72 hrs by MTT assay | 20303768 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20303768 | 10.1016/j.bmc.2010.02.025 | SK-N-MC | 2 |
| 20303768 | 10.1016/j.bmc.2010.02.025 | HCT-116 | 1 |
| 20303768 | 10.1016/j.bmc.2010.02.025 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine