Compound Detail
CHEMBL3819727
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O=C(c1cc(F)cc(N2CCNCC2)c1)N1CCN(C(=O)c2ccc(O[C@H]3CCNC3)c(-c3ccc(F)cc3)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL3819727 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXPIWIDLDOAJGK-NDEPHWFRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
575.7
MW (Da)
3.38
ALogP
6
HBA
2
HBD
77.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| beta-catenin-B-cell lymphoma 9 protein complex CHEMBL3885525 | Ki | 4.72 | 4.71 | 19000.0 | 2 |
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 | = | 19000.0 | nM | 4.72 | Alphascreen Assay: Alphascreen Assays to Determine the Apparent Kd Values for Wi... | - |
| beta-catenin-B-cell lymphoma 9 protein complex | Ki | = | 20000.0 | nM | 4.7 | Alphascreen Assay: Alphascreen Assays to Determine the Apparent Kd Values for Wi... | - |
Data from ChEMBL 36 via Core Engine