Compound Detail
CHEMBL3400491
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COc1ccc2c(c1)c(CC(=O)N[C@@H](CC(=O)O)Cc1cccc3ccccc13)c(C)n2C(=O)c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL3400491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXJGFPZJFOLIFD-RUZDIDTESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
569.1
MW (Da)
6.20
ALogP
5
HBA
2
HBD
97.6
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-like protein 1 CHEMBL4625 | Ki | 6.03 | 6.03 | 930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-2-like protein 1 | Ki | = | 930.0 | nM | 6.03 | Inhibition of GST-tagged Bcl-xL (unknown origin) measured after 1 hr incubation ... | 25797160 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25797160 | 10.1016/j.bmc.2015.02.060 | Bcl-2-like protein 1 | 1 |
Data from ChEMBL 36 via Core Engine