Compound Detail
CHEMBL5928847
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Cc1c2c(nn1C)CN(C)S(=O)(=O)CCCn1c(C(=O)O)c(CCCOc3cccc4ccccc34)c3cccc-2c31
Basic Information
| ChEMBL ID | CHEMBL5928847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYNTXMBHJAXDSH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
586.7
MW (Da)
5.38
ALogP
7
HBA
1
HBD
106.7
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1/Phorbol-12-myristate-13-acetate-induced protein 1 CHEMBL6066576 | IC50 | 8.66 | 7.81 | 2.2 | 2 |
| BCL2L1/BAD CHEMBL5169267 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1/Phorbol-12-myristate-13-acetate-induced protein 1 | IC50 | = | 2.2 | nM | 8.66 | Protein-Protein Interaction Assay: MCL-1/Noxa BH3 Peptide (MCL-1 Assay): From th... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1/Phorbol-12-myristate-13-acetate-induced protein 1 | IC50 | = | 110.0 | nM | 6.96 | Protein-Protein Interaction Assay: MCL-1/Noxa BH3 Peptide (MCL-1 Assay): From th... | - |
| BCL2L1/BAD | IC50 | = | 15000.0 | nM | 4.82 | Protein-Protein Interaction Assay: BCL-XL/Bad BH3 Peptide (BCL-XL Assay): The as... | - |
Data from ChEMBL 36 via Core Engine