Compound Detail
CHEMBL477455
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Basic Information
| ChEMBL ID | CHEMBL477455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZQVNIRLVRNEHA-RFAUZJTJSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
2.42
ALogP
6
HBA
3
HBD
88.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Daudi CHEMBL614281 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1800.0 | nM | 5.75 | Cytotoxicity against human K562-Lucena 1 cells assessed as cell viability after ... | 18468732 |
| HL-60 | IC50 | = | 2100.0 | nM | 5.68 | Cytotoxicity against human HL60 cells assessed as cell viability after 72 hrs by... | 18468732 |
| Daudi | IC50 | = | 6400.0 | nM | 5.19 | Cytotoxicity against human Daudi cells assessed as cell viability after 72 hrs b... | 18468732 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18468732 | 10.1016/j.ejmech.2008.01.027 | NON-PROTEIN TARGET | 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 | K562 | 1 |
| 18468732 | 10.1016/j.ejmech.2008.01.027 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine