Compound Detail
CHEMBL3946359
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COC1(Cn2ncc(-c3ccc(N4CCc5cccc(C(=O)Nc6nc7ccccc7s6)c5C4)nc3C(=O)NS(C)(=O)=O)c2C)CCCC(C)(C)C1
Basic Information
| ChEMBL ID | CHEMBL3946359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REGIYSKTNLQTJH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
741.9
MW (Da)
6.35
ALogP
11
HBA
2
HBD
148.4
PSA (Ų)
0.18
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-like protein 1 CHEMBL3309112 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-2-like protein 1 | EC50 | = | 5.0 | nM | 8.3 | FL5.12 Cellular Assay: The efficacy of the compounds of Formula (I) can also be ... | - |
Data from ChEMBL 36 via Core Engine