Compound Detail
CHEMBL3965661
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COCCOc1ccccc1Cn1ncc(-c2ccc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)O)c1C
Basic Information
| ChEMBL ID | CHEMBL3965661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFFDCIFWKCFSNV-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
674.8
MW (Da)
6.45
ALogP
10
HBA
2
HBD
131.7
PSA (Ų)
0.15
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.64
Ki 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-like protein 1 CHEMBL4625 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Bcl-2-like protein 1 CHEMBL3309112 | EC50 | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-2-like protein 1 | Ki | = | 0.5 | nM | 9.3 | Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The measur... | - |
| Bcl-2-like protein 1 | EC50 | = | 23.0 | nM | 7.64 | FL5.12 Cellular Assay: The efficacy of the compounds of Formula (I) can also be ... | - |
Data from ChEMBL 36 via Core Engine