Compound Detail
CHEMBL5771735
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CCc1c2c(nn1C)CN(C1CC1)S(=O)(=O)CCCn1c(C(=O)O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c31
Basic Information
| ChEMBL ID | CHEMBL5771735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COFIAJOTHUPGLZ-UHFFFAOYSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
679.2
MW (Da)
6.96
ALogP
7
HBA
1
HBD
106.7
PSA (Ų)
0.18
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 9.19
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 | 9.19 | 8.5867 | 0.6 | 3 |
| BCL2L1/BAD CHEMBL5169267 | IC50 | 4.89 | 4.83 | 13000.0 | 3 |
| BCL2/BAD CHEMBL5169266 | IC50 | 4.85 | 4.825 | 14000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine