Compound Detail
CHEMBL6026365
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Cc1[nH]nc2c1-c1c(Cl)ccc3c(CCCOc4cccc5cc(F)ccc45)c(C(=O)O)n(c13)CCCS(=O)(=O)N(C1CC1)C2
Basic Information
| ChEMBL ID | CHEMBL6026365 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKYSHCNOGACJHS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
651.2
MW (Da)
6.69
ALogP
6
HBA
2
HBD
117.5
PSA (Ų)
0.19
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.89
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 | 8.89 | 8.89 | 1.3 | 1 |
| BCL2/BAD CHEMBL5169266 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
| BCL2L1/BAD CHEMBL5169267 | IC50 | 4.72 | 4.72 | 19000.0 | 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 | = | 1.3 | nM | 8.89 | Protein-Protein Interaction Assay: MCL-1/Noxa BH3 Peptide (MCL-1 Assay): From th... | - |
| BCL2/BAD | IC50 | = | 19000.0 | nM | 4.72 | Protein-Protein Interaction Assay: BCL-2/Bad BH3 Peptide (BCL-2 Assay): The assa... | - |
| BCL2L1/BAD | IC50 | = | 19000.0 | nM | 4.72 | Protein-Protein Interaction Assay: BCL-XL/Bad BH3 Peptide (BCL-XL Assay): The as... | - |
Data from ChEMBL 36 via Core Engine