Compound Detail
CHEMBL2089302
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O=C(NS(=O)(=O)CC12CC3CC(C1)CC(NC(=O)C1CC1)(C3)C2)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL2089302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYGGOERWKSDPFT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
701.3
MW (Da)
6.25
ALogP
6
HBA
2
HBD
98.8
PSA (Ų)
0.26
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2/Bcl-2 homologous antagonist/killer CHEMBL3885516 | EC50 | 6.68 | 6.68 | 210.0 | 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 | = | 210.0 | nM | 6.68 | 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