Compound Detail
CHEMBL1471865
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
C=CCc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nnc(CC)s4)cc3)c(=O)oc12
Basic Information
| ChEMBL ID | CHEMBL1471865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJDOKRISIQYTPH-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
3.99
ALogP
8
HBA
2
HBD
131.3
PSA (Ų)
0.28
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.8 | 5.8 | 1582.5 | 1 |
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 5.21 | 5.21 | 6178.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 22 CHEMBL2889 | IC50 | 5.07 | 5.05 | 8582.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 1582.55 | nM | 5.8 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 6178.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Dose Response confirmation of HTS hits from an HePTP Fluoresce... | - |
| Tyrosine-protein phosphatase non-receptor type 22 | IC50 | = | 8582.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Tyrosine-protein phosphatase non-receptor type 22 | IC50 | = | 9427.0 | nM | 5.03 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
Data from ChEMBL 36 via Core Engine