Compound Detail
CHEMBL2420524
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Basic Information
| ChEMBL ID | CHEMBL2420524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVPGVMPNUSAJFI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
3.21
ALogP
4
HBA
3
HBD
76.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.8 | 5.8 | 1580.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 4.86 | 4.86 | 13890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 340.0 | nM | 6.47 | Cytotoxicity against human HL60 cells after 48 hrs | 23916255 |
| NON-PROTEIN TARGET | IC50 | = | 1580.0 | nM | 5.8 | Cytotoxicity against human Hep3B cells after 48 hrs | 23916255 |
| NCI-H460 | IC50 | = | 13890.0 | nM | 4.86 | Cytotoxicity against human NCI-H460 cells after 48 hrs | 23916255 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23916255 | 10.1016/j.bmcl.2013.06.083 | NON-PROTEIN TARGET | 1 |
| 23916255 | 10.1016/j.bmcl.2013.06.083 | HL-60 | 1 |
| 23916255 | 10.1016/j.bmcl.2013.06.083 | Detroit 551 | 1 |
| 23916255 | 10.1016/j.bmcl.2013.06.083 | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine