Compound Detail
CHEMBL2323206
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Basic Information
| ChEMBL ID | CHEMBL2323206 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJERGGSMXQOTCO-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
508.6
MW (Da)
4.93
ALogP
7
HBA
1
HBD
116.2
PSA (Ų)
0.19
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.16 | 4.125 | 70000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 70000.0 | nM | 4.16 | Inhibition of tPMET complex in human mitochondrial gene-knockout HL60 cells afte... | 23432053 |
| Unchecked | IC50 | = | 81000.0 | nM | 4.09 | Inhibition of tPMET complex in human HL60 cells after 30 mins by WST-1/mPMS redu... | 23432053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23432053 | 10.1021/jm301585z | HL-60 | 2 |
| 23432053 | 10.1021/jm301585z | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine