Compound Detail
CHEMBL5188416
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CC(C)(C)OC(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccccc3)C2)cc1
Basic Information
| ChEMBL ID | CHEMBL5188416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSQXKEVSUSRVLZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
520.4
MW (Da)
6.79
ALogP
4
HBA
1
HBD
71.0
PSA (Ų)
0.41
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 CHEMBL4860 | IC50 | 6.58 | 6.58 | 262.0 | 1 |
| Apoptosis regulator Bcl-2/Beclin-1 CHEMBL6066579 | IC50 | 6.56 | 6.56 | 274.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 | IC50 | = | 262.0 | nM | 6.58 | Inhibition of biotin-linker-Beclin 1 BH3 peptide binding to human C-terminal 6Hi... | 36105331 |
| Apoptosis regulator Bcl-2/Beclin-1 | IC50 | = | 274.0 | nM | 6.56 | High-Throughput Assay: A high-throughput Beclin 1/Bcl-2 AlphaLISA assay to direc... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36105331 | 10.1021/acsmedchemlett.2c00309 | Apoptosis regulator Bcl-2 | 2 |
| 36105331 | 10.1021/acsmedchemlett.2c00309 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine