Compound Detail
CHEMBL115120
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Basic Information
| ChEMBL ID | CHEMBL115120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPEPHKHIFLKGNV-AUWJEWJLSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
306.2
MW (Da)
4.03
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.81
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 1540.0 | nM | 5.81 | Antiproliferative activity against human HL-60 cells assessed as cell growth inh... | 33271454 |
| SGC-7901 | IC50 | = | 4310.0 | nM | 5.37 | In vitro anti-cancer activity against SGC-7901 cell | 14505641 |
| HT-29 | IC50 | = | 4310.0 | nM | 5.37 | Cytotoxicity against human HT-29 cells assessed as reduction in cell viability | 30739824 |
| HL-60 | IC50 | = | 4310.0 | nM | 5.37 | Cytotoxicity against human HL60 cells assessed as reduction in cell viability | 30739824 |
| HT-29 | IC50 | = | 8900.0 | nM | 5.05 | Antiproliferative activity against human HT-29 cells assessed as cell growth inh... | 33271454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14505641 | 10.1016/s0960-894x(03)00752-2 | SGC-7901 | 1 |
| 30739824 | 10.1016/j.ejmech.2019.01.078 | HT-29 | 1 |
| 30739824 | 10.1016/j.ejmech.2019.01.078 | HL-60 | 1 |
| 33271454 | 10.1016/j.bmc.2020.115895 | HL-60 | 1 |
| 33271454 | 10.1016/j.bmc.2020.115895 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine