Compound Detail
CHEMBL3819630
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Cl.Cl.O=C(Nc1ccc(OC2CCNC2)c(-c2ccc(F)cc2)c1)c1ccc(O[C@H]2CCNC2)c(-c2ccc(F)c(F)c2)c1
Basic Information
| ChEMBL ID | CHEMBL3819630 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSSFZCLVXBYISR-LANYYJDVSA-N |
| Parent Compound | CHEMBL3819656 |
| Active Moiety | CHEMBL3819656 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
573.6
MW (Da)
6.17
ALogP
5
HBA
3
HBD
71.6
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| beta-catenin-B-cell lymphoma 9 protein complex CHEMBL3885525 | Ki | 5.68 | 5.68 | 2100.0 | 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 | = | 2100.0 | nM | 5.68 | 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 | Unchecked | 1 |
| 27190602 | 10.1021/acsmedchemlett.5b00284 | beta-catenin-B-cell lymphoma 9 protein complex | 1 |
Data from ChEMBL 36 via Core Engine