Compound Detail
CHEMBL5835553
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
CCc1c2c(nn1C)CN(C)CC(F)(F)CCn1c(C(=O)O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c31
Basic Information
| ChEMBL ID | CHEMBL5835553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZYMZHBSKWEGRE-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
639.1
MW (Da)
7.73
ALogP
6
HBA
1
HBD
72.5
PSA (Ų)
0.18
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.0 | 8.58 | 1.0 | 3 |
| BCL2L1/BAD CHEMBL5169267 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
| Unchecked | IC50 | = | 1.2 | nM | 8.92 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
| Unchecked | IC50 | = | 15.0 | nM | 7.82 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
| BCL2L1/BAD | IC50 | = | 10000.0 | nM | 5.0 | BCL-XL/Bad BH3 Peptide (BCL-XL Assay): The dose-dependent inhibition by the comp... | - |
Data from ChEMBL 36 via Core Engine