Compound Detail
CHEMBL2272028
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Basic Information
| ChEMBL ID | CHEMBL2272028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUTYTTWZQQJIMD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
3.95
ALogP
5
HBA
0
HBD
72.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NADH-ubiquinone oxidoreductase chain 1 CHEMBL4497 | IC50 | 5.21 | 5.07 | 6200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NADH-ubiquinone oxidoreductase chain 1 | IC50 | = | 6200.0 | nM | 5.21 | Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction ... | 12460667 |
| NADH-ubiquinone oxidoreductase chain 1 | IC50 | = | 11800.0 | nM | 4.93 | Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction ... | 12460667 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12460667 | 10.1016/s0005-2728(02)00341-9 | NADH-ubiquinone oxidoreductase chain 2 | 2 |
| 12460667 | 10.1016/s0005-2728(02)00341-9 | NADH-ubiquinone oxidoreductase chain 1 | 2 |
| 12460667 | 10.1016/s0005-2728(02)00341-9 | NADH-ubiquinone oxidoreductase chain 3 | 1 |
Data from ChEMBL 36 via Core Engine