Compound Detail
CHEMBL3819737
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NCCc1cc(F)cc(C(=O)N2CCN(C(=O)c3ccc(O[C@H]4CCNC4)c(-c4ccc(F)cc4)c3)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL3819737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBHHKKMPGXLNOE-SANMLTNESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
534.6
MW (Da)
3.47
ALogP
5
HBA
2
HBD
87.9
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| beta-catenin-B-cell lymphoma 9 protein complex CHEMBL3885525 | Ki | 4.17 | 4.17 | 67000.0 | 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 | = | 67000.0 | nM | 4.17 | Alphascreen Assay: Alphascreen Assays to Determine the Apparent Kd Values for Wi... | - |
Data from ChEMBL 36 via Core Engine