Compound Detail
CHEMBL5631313
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Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCN(C(=O)CN2CCN(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL5631313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFNMIAGMJGUCIW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
866.0
MW (Da)
3.97
ALogP
14
HBA
2
HBD
192.4
PSA (Ų)
0.19
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein cereblon/Tyrosine-protein kinase BTK CHEMBL4523704 | EC50 | 8.53 | 8.37 | 2.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein cereblon/Tyrosine-protein kinase BTK | EC50 | = | 2.93 | nM | 8.53 | PROTAC activity at CRBN/BTK in human MINO cells assessed as induction of BTK deg... | 37487306 |
| Protein cereblon/Tyrosine-protein kinase BTK | EC50 | = | 6.11 | nM | 8.21 | PROTAC activity at CRBN/BTK in human Ramos cells assessed as induction of BTK de... | 37487306 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37487306 | 10.1016/j.ejmech.2023.115664 | Protein cereblon/Tyrosine-protein kinase BTK | 13 |
Data from ChEMBL 36 via Core Engine