Compound Detail
CHEMBL3401494
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Basic Information
| ChEMBL ID | CHEMBL3401494 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIORPUVMIWXYRS-DLOIKSOESA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
2.60
ALogP
5
HBA
2
HBD
75.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.16
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-N-SH | IC50 | = | 70.0 | nM | 7.16 | Antiproliferative activity against human SK-N-SH cells assessed as cell growth i... | 34161865 |
| IMR-32 | IC50 | = | 160.0 | nM | 6.8 | Antiproliferative activity against human IMR-32 cells assessed as cell growth in... | 34161865 |
| HepG2 | IC50 | = | 1700.0 | nM | 5.77 | Antiproliferative activity against human HepG2 cells assessed cell survival afte... | 25765906 |
| HepG2 | IC50 | = | 2300.0 | nM | 5.64 | Cytotoxicity against human HepG2 cells assessed cell death after 72 hrs by alama... | 25765906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25765906 | 10.1016/j.bmcl.2015.02.053 | HepG2 | 8 |
| 28743492 | 10.1016/j.bmc.2017.07.009 | Unchecked | 4 |
| 28743492 | 10.1016/j.bmc.2017.07.009 | HepG2 | 4 |
| 25765906 | 10.1016/j.bmcl.2015.02.053 | No relevant target | 1 |
| 28743492 | 10.1016/j.bmc.2017.07.009 | ADMET | 1 |
| 29122482 | 10.1016/j.bmcl.2017.10.069 | HT-22 | 1 |
| 34161865 | 10.1016/j.ejmech.2021.113652 | IMR-32 | 1 |
| 34161865 | 10.1016/j.ejmech.2021.113652 | SK-N-SH | 1 |
Data from ChEMBL 36 via Core Engine