Compound Detail
CHEMBL5197332
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N#CC1=C(NCCC(=O)CCCCC(=O)NCCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c2ccc(Sc3ccc(Br)cc3)c3cccc(c23)C1=O
Basic Information
| ChEMBL ID | CHEMBL5197332 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZJJGSDNAPEYJN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
903.9
MW (Da)
7.09
ALogP
11
HBA
4
HBD
194.6
PSA (Ų)
0.06
QED
3
Ro5 Violations
19
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BCL2/BCL2L11 CHEMBL5169264 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1/Bcl-2-like protein 11 CHEMBL3430887 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BCL2/BCL2L11 | IC50 | = | 540.0 | nM | 6.27 | Inhibition of Bcl-2/Bim (unknown origin) by ELISA method | 33333396 |
| Induced myeloid leukemia cell differentiation protein Mcl-1/Bcl-2-like protein 11 | IC50 | = | 780.0 | nM | 6.11 | Inhibition of Mcl-1/Bim (unknown origin) by ELISA method | 33333396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33333396 | 10.1016/j.ejmech.2020.113038 | Induced myeloid leukemia cell differentiation protein Mcl-1/Bcl-2-like protein 11 | 1 |
| 33333396 | 10.1016/j.ejmech.2020.113038 | BCL2/BCL2L11 | 1 |
Data from ChEMBL 36 via Core Engine