Compound Detail
CHEMBL4462385
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Basic Information
| ChEMBL ID | CHEMBL4462385 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZXMRCLMVQUPHV-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
4.83
ALogP
3
HBA
1
HBD
29.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| KB CHEMBL398 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| HCT-8 CHEMBL613510 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| L02 CHEMBL4296457 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 5.0 | nM | 8.3 | Antiproliferative activity against human K562 cells after 72 hrs by MTT assay | 30530194 |
| KB | IC50 | = | 8.0 | nM | 8.1 | Antiproliferative activity against human KB cells after 72 hrs by MTT assay | 30530194 |
| HCT-8 | IC50 | = | 10.0 | nM | 8.0 | Antiproliferative activity against human HCT8 cells after 72 hrs by MTT assay | 30530194 |
| HepG2 | IC50 | = | 20.0 | nM | 7.7 | Antiproliferative activity against human HepG2 cells after 72 hrs by MTT assay | 30530194 |
| Unchecked | IC50 | = | 25.0 | nM | 7.6 | Antiproliferative activity against human H22 cells after 72 hrs by MTT assay | 30530194 |
| MDA-MB-231 | IC50 | = | 27.0 | nM | 7.57 | Antiproliferative activity against human MDA-MB-231 cells after 72 hrs by MTT as... | 30530194 |
| L02 | IC50 | = | 85.0 | nM | 7.07 | Antiproliferative activity against human LO2 cells after 72 hrs by MTT assay | 30530194 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30530194 | 10.1016/j.ejmech.2018.11.070 | K562 | 1 |
| 30530194 | 10.1016/j.ejmech.2018.11.070 | HepG2 | 1 |
| 30530194 | 10.1016/j.ejmech.2018.11.070 | KB | 1 |
| 30530194 | 10.1016/j.ejmech.2018.11.070 | HCT-8 | 1 |
| 30530194 | 10.1016/j.ejmech.2018.11.070 | MDA-MB-231 | 1 |
| 30530194 | 10.1016/j.ejmech.2018.11.070 | Unchecked | 1 |
| 30530194 | 10.1016/j.ejmech.2018.11.070 | L02 | 1 |
Data from ChEMBL 36 via Core Engine