Compound Detail
CHEMBL2030855
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CCCCc1c(-c2ccc(C(=O)NS(=O)(=O)c3ccc4ccccc4c3)cc2C(=O)N2CCc3ccccc3C2)c(CO)nn1-c1ccc(-c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL2030855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMLVBMYFPSXMHI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
774.9
MW (Da)
8.51
ALogP
7
HBA
2
HBD
121.6
PSA (Ų)
0.14
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 CHEMBL4860 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Bcl-2-like protein 1 CHEMBL4625 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 | IC50 | = | 7.0 | nM | 8.15 | Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate af... | 22608393 |
| Bcl-2-like protein 1 | IC50 | = | 13.0 | nM | 7.89 | Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as subst... | 22608393 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22608393 | 10.1016/j.bmcl.2012.04.106 | Apoptosis regulator Bcl-2 | 1 |
| 22608393 | 10.1016/j.bmcl.2012.04.106 | Bcl-2-like protein 1 | 1 |
Data from ChEMBL 36 via Core Engine