Compound Detail
CHEMBL5941324
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1c2c(nn1C)CN(C1CC1)S(=O)(=O)CCCn1c(C(=O)O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c31
Basic Information
| ChEMBL ID | CHEMBL5941324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSYSWTYWPMVLRT-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
665.2
MW (Da)
6.70
ALogP
7
HBA
1
HBD
106.7
PSA (Ų)
0.19
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.47
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 | 9.47 | 8.84 | 0.3 | 2 |
| BCL2/BAD CHEMBL5169266 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| BCL2L1/BAD CHEMBL5169267 | IC50 | 4.75 | 4.75 | 18000.0 | 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 | = | 0.34 | nM | 9.47 | 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 | = | 6.2 | nM | 8.21 | Protein-Protein Interaction Assay: MCL-1/Noxa BH3 Peptide (MCL-1 Assay): From th... | - |
| BCL2/BAD | IC50 | = | 12000.0 | nM | 4.92 | Protein-Protein Interaction Assay: BCL-2/Bad BH3 Peptide (BCL-2 Assay): The assa... | - |
| BCL2L1/BAD | IC50 | = | 18000.0 | nM | 4.75 | Protein-Protein Interaction Assay: BCL-XL/Bad BH3 Peptide (BCL-XL Assay): The as... | - |
Data from ChEMBL 36 via Core Engine