Compound Detail
CHEMBL454850
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Basic Information
| ChEMBL ID | CHEMBL454850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGIPOZCJJKKBBV-RFAUZJTJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
2.44
ALogP
6
HBA
2
HBD
77.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 3000.0 | nM | 5.52 | Cytotoxicity against human K562 cells assessed as cell viability after 72 hrs by... | 18468732 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691215 | 10.1021/np50126a030 | KB | 1 |
| 8691215 | 10.1021/np50126a030 | Nucleic Acid | 1 |
| 18468732 | 10.1016/j.ejmech.2008.01.027 | K562 | 1 |
| 18468732 | 10.1016/j.ejmech.2008.01.027 | HL-60 | 1 |
| 18468732 | 10.1016/j.ejmech.2008.01.027 | Daudi | 1 |
| 18468732 | 10.1016/j.ejmech.2008.01.027 | NON-PROTEIN TARGET | 1 |
| 18468732 | 10.1016/j.ejmech.2008.01.027 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine