Compound Detail
CHEMBL5170950
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Cc1cccc(Cc2c(C)nc3c(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cnn3c2C)c1
Basic Information
| ChEMBL ID | CHEMBL5170950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSNCWUMANMRRHE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
5.23
ALogP
5
HBA
0
HBD
53.7
PSA (Ų)
0.38
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6700.0 | nM | 5.17 | Inhibition of full length recombinant His6 tagged human RUVBL1/2 expressed in Es... | 35364523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35364523 | 10.1016/j.bmc.2022.116726 | RuvB-like 1 | 1 |
| 35364523 | 10.1016/j.bmc.2022.116726 | RuvB-like 2 | 1 |
| 35364523 | 10.1016/j.bmc.2022.116726 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine