Compound Detail
CHEMBL3819368
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Cl.Cl.O=C(c1cc(F)cc(N2CCNCC2)c1)N1CCN(C(=O)c2ccc(O[C@H]3CCNC3)c(-c3ccc(F)c(F)c3)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL3819368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXRBLRCCNYAAIZ-ROPHLPQBSA-N |
| Parent Compound | CHEMBL3819720 |
| Active Moiety | CHEMBL3819720 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
593.6
MW (Da)
3.52
ALogP
6
HBA
2
HBD
77.2
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| beta-catenin-B-cell lymphoma 9 protein complex CHEMBL3885525 | Ki | 4.24 | 4.24 | 57000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| beta-catenin-B-cell lymphoma 9 protein complex | Ki | = | 57000.0 | nM | 4.24 | Competitive inhibition of wild type beta-catenin (unknown origin) expressed in E... | 27190602 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27190602 | 10.1021/acsmedchemlett.5b00284 | beta-catenin-B-cell lymphoma 9 protein complex | 1 |
Data from ChEMBL 36 via Core Engine