Compound Detail
CHEMBL5289597
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Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCN(C(=O)CCCCCCCOCCOCCOCCOCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
Basic Information
| ChEMBL ID | CHEMBL5289597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLMGLKSQVPZAQL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
961.1
MW (Da)
5.92
ALogP
16
HBA
2
HBD
228.9
PSA (Ų)
0.05
QED
3
Ro5 Violations
26
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein cereblon/Tyrosine-protein kinase BTK CHEMBL4523704 | EC50 | 8.66 | 8.66 | 2.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein cereblon/Tyrosine-protein kinase BTK | EC50 | = | 2.2 | nM | 8.66 | PROTAC activity at CRBN/BTK in human MINO cells assessed as decrease in BTK leve... | 34479103 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34479103 | 10.1016/j.bmc.2021.116358 | Protein cereblon/Tyrosine-protein kinase BTK | 2 |
Data from ChEMBL 36 via Core Engine