Compound Detail
CHEMBL4470691
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Basic Information
| ChEMBL ID | CHEMBL4470691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQAXZBZEZIBOMM-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
284.4
MW (Da)
5.09
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.55
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 6.92 | 6.92 | 121.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.74 | 6.74 | 184.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 6.69 | 6.69 | 204.0 | 1 |
| KB CHEMBL398 | IC50 | 6.43 | 6.43 | 372.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 6.42 | 6.42 | 377.0 | 1 |
| HCT-8 CHEMBL613510 | IC50 | 6.39 | 6.39 | 403.0 | 1 |
| L02 CHEMBL4296457 | IC50 | 6.05 | 6.05 | 881.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 121.0 | nM | 6.92 | Antiproliferative activity against human K562 cells after 72 hrs by MTT assay | 30530194 |
| Unchecked | IC50 | = | 184.0 | nM | 6.74 | Antiproliferative activity against human H22 cells after 72 hrs by MTT assay | 30530194 |
| MDA-MB-231 | IC50 | = | 204.0 | nM | 6.69 | Antiproliferative activity against human MDA-MB-231 cells after 72 hrs by MTT as... | 30530194 |
| KB | IC50 | = | 372.0 | nM | 6.43 | Antiproliferative activity against human KB cells after 72 hrs by MTT assay | 30530194 |
| HepG2 | IC50 | = | 377.0 | nM | 6.42 | Antiproliferative activity against human HepG2 cells after 72 hrs by MTT assay | 30530194 |
| HCT-8 | IC50 | = | 403.0 | nM | 6.39 | Antiproliferative activity against human HCT8 cells after 72 hrs by MTT assay | 30530194 |
| L02 | IC50 | = | 881.0 | nM | 6.05 | 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