Compound Detail
CHEMBL4561305
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NC[C@@H]1Cc2ccccc2CN1C(=O)c1cc2c(cc1-c1cc(C(=O)N(c3ccccc3)c3ccc(O)cc3)c3n1CCCC3)OCO2
Basic Information
| ChEMBL ID | CHEMBL4561305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGHTZFILMXYOAS-LJAQVGFWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
640.7
MW (Da)
6.43
ALogP
7
HBA
2
HBD
110.3
PSA (Ų)
0.22
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 CHEMBL4860 | Ki | 9.44 | 9.44 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 | Ki | = | 0.36 | nM | 9.44 | Inhibition of wild-type BCL-2 (unknown origin) expressed in Escherichia coli BL2... | 31580668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31580668 | 10.1021/acs.jmedchem.9b00983 | Apoptosis regulator Bcl-2 | 1 |
Data from ChEMBL 36 via Core Engine