Compound Detail
CHEMBL1085767
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Basic Information
| ChEMBL ID | CHEMBL1085767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAJUXJSXCLUTNU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
481.5
MW (Da)
4.63
ALogP
7
HBA
2
HBD
123.0
PSA (Ų)
0.29
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RuvB-like 1 CHEMBL3259467 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Hep 3B2 CHEMBL4296437 | IC50 | 4.46 | 4.46 | 34300.0 | 1 |
| Huh-7 CHEMBL614039 | IC50 | 4.2 | 4.2 | 63700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RuvB-like 1 | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of RUVBL1 (unknown origin) | 35364523 |
| Hep 3B2 | IC50 | = | 34300.0 | nM | 4.46 | Anticancer activity against human Hep3B cells assessed as inhibition of cell pro... | 33873056 |
| Huh-7 | IC50 | = | 63700.0 | nM | 4.2 | Anticancer activity against human Huh-7 cells assessed as inhibition of cell pro... | 33873056 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33873056 | 10.1016/j.ejmech.2021.113446 | Huh-7 | 1 |
| 33873056 | 10.1016/j.ejmech.2021.113446 | Hep 3B2 | 1 |
| 35364523 | 10.1016/j.bmc.2022.116726 | RuvB-like 1 | 1 |
Data from ChEMBL 36 via Core Engine