Compound Detail
CHEMBL4469733
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Basic Information
| ChEMBL ID | CHEMBL4469733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRXSLCPHDFDSQZ-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
2.30
ALogP
7
HBA
3
HBD
110.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DOHH-2 CHEMBL2366181 | IC50 | 4.92 | 4.92 | 12090.0 | 1 |
| HH CHEMBL2366310 | IC50 | 4.76 | 4.76 | 17310.0 | 1 |
| H9 CHEMBL614806 | IC50 | 4.65 | 4.65 | 22260.0 | 1 |
| FEPD CHEMBL614866 | IC50 | 4.58 | 4.58 | 26490.0 | 1 |
| Farage CHEMBL4483236 | IC50 | 4.57 | 4.57 | 26960.0 | 1 |
| SU-DHL-8 CHEMBL4523562 | IC50 | 4.57 | 4.57 | 27180.0 | 1 |
| SU-DHL-6 CHEMBL4296496 | IC50 | 4.47 | 4.47 | 34200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DOHH-2 | IC50 | = | 12090.0 | nM | 4.92 | Antiproliferative activity against human DOHH2 cells assessed as reduction in ce... | 31400706 |
| HH | IC50 | = | 17310.0 | nM | 4.76 | Antiproliferative activity against human HH cells assessed as reduction in cell ... | 31400706 |
| H9 | IC50 | = | 22260.0 | nM | 4.65 | Antiproliferative activity against human H9 cells assessed as reduction in cell ... | 31400706 |
| FEPD | IC50 | = | 26490.0 | nM | 4.58 | Antiproliferative activity against human FEPD cells assessed as reduction in cel... | 31400706 |
| Farage | IC50 | = | 26960.0 | nM | 4.57 | Antiproliferative activity against human Farage cells assessed as reduction in c... | 31400706 |
| SU-DHL-8 | IC50 | = | 27180.0 | nM | 4.57 | Antiproliferative activity against human SUDHL8 cells assessed as reduction in c... | 31400706 |
| SU-DHL-6 | IC50 | = | 34200.0 | nM | 4.47 | Antiproliferative activity against human SUDHL6 cells assessed as reduction in c... | 31400706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31400706 | 10.1016/j.ejmech.2019.07.048 | DOHH-2 | 1 |
| 31400706 | 10.1016/j.ejmech.2019.07.048 | Farage | 1 |
| 31400706 | 10.1016/j.ejmech.2019.07.048 | SU-DHL-8 | 1 |
| 31400706 | 10.1016/j.ejmech.2019.07.048 | SU-DHL-6 | 1 |
| 31400706 | 10.1016/j.ejmech.2019.07.048 | HuT78 | 1 |
| 31400706 | 10.1016/j.ejmech.2019.07.048 | FEPD | 1 |
| 31400706 | 10.1016/j.ejmech.2019.07.048 | H9 | 1 |
| 31400706 | 10.1016/j.ejmech.2019.07.048 | HH | 1 |
Data from ChEMBL 36 via Core Engine