Compound Detail
CHEMBL2089300
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
CC(=O)NC12CC3CC(CC(CS(=O)(=O)NC(=O)c4ccc(N5CCN(Cc6ccccc6-c6ccc(Cl)cc6)CC5)cc4)(C3)C1)C2
Basic Information
| ChEMBL ID | CHEMBL2089300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTSBQQURLADPGL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
675.3
MW (Da)
5.86
ALogP
6
HBA
2
HBD
98.8
PSA (Ų)
0.30
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2/Bcl-2 homologous antagonist/killer CHEMBL3885516 | EC50 | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2/Bcl-2 homologous antagonist/killer | EC50 | = | 230.0 | nM | 6.64 | Inhibition of Bcl2-BAK interaction after 1 hr by surface plasmon resonance assay | 24900514 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900514 | 10.1021/ml300095a | Apoptosis regulator Bcl-2/Bcl-2 homologous antagonist/killer | 1 |
Data from ChEMBL 36 via Core Engine