Compound Detail
CHEMBL4871137
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CC(C)(Oc1cccc(N2CCC[C@@H](C(=O)N(CCOCCOCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)Cc3ccc(-c4cn[nH]c4)cc3)C2)c1)C(=O)N1CCNCC1
Basic Information
| ChEMBL ID | CHEMBL4871137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQXPPXPFMPQLGV-RHPBCFIQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
888.1
MW (Da)
3.79
ALogP
11
HBA
5
HBD
182.5
PSA (Ų)
0.07
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| beta-catenin-B-cell lymphoma 9 protein complex CHEMBL3885525 | Kd | 6.11 | 6.11 | 770.0 | 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 | Kd | = | 770.0 | nM | 6.11 | Competitive binding affinity to C-terminal 6-His-tagged beta-catenin (1 to 781 r... | 34382808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34382808 | 10.1021/acs.jmedchem.1c00742 | beta-catenin-B-cell lymphoma 9 protein complex | 1 |
Data from ChEMBL 36 via Core Engine