Compound Detail
CHEMBL344918
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Basic Information
| ChEMBL ID | CHEMBL344918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPDSEHLNZIUKPI-DMXPTSQMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
305.5
MW (Da)
3.64
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 6.16 | 6.16 | 700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 700.0 | nM | 6.16 | In vitro inhibitory activity against K562 human leukemia cell line | 11212128 |
| K562 | IC50 | = | 700.0 | nM | 6.16 | Antiproliferative activity against human K562 cells | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11212128 | 10.1016/s0960-894x(00)00686-7 | K562 | 6 |
| - | 10.1039/C2MD20172K | MCF7 | 1 |
| - | 10.1039/C2MD20172K | K562 | 1 |
| - | 10.1039/C2MD20172K | P388 | 1 |
| - | 10.1039/C2MD20172K | A549 | 1 |
| - | 10.1039/C2MD20172K | NCI-H520 | 1 |
Data from ChEMBL 36 via Core Engine