Compound Detail
CHEMBL3608810
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Basic Information
| ChEMBL ID | CHEMBL3608810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKUHCWHHPADIGP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
4.44
ALogP
7
HBA
0
HBD
71.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 4.66 | 4.66 | 21900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 21900.0 | nM | 4.66 | Cytotoxicity against human HL60 cells incubated for 48 hrs by MTT assay | 26235951 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26235951 | 10.1016/j.bmcl.2015.07.058 | NON-PROTEIN TARGET | 3 |
| 26235951 | 10.1016/j.bmcl.2015.07.058 | HL-60 | 1 |
| 26235951 | 10.1016/j.bmcl.2015.07.058 | A498 | 1 |
| 26235951 | 10.1016/j.bmcl.2015.07.058 | COLO 205 | 1 |
| 26235951 | 10.1016/j.bmcl.2015.07.058 | SK-OV-3 | 1 |
| 26235951 | 10.1016/j.bmcl.2015.07.058 | Detroit 551 | 1 |
Data from ChEMBL 36 via Core Engine