Compound Detail
CHEMBL3287282
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Basic Information
| ChEMBL ID | CHEMBL3287282 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGERKAMDOWOUTN-NLRVBDNBSA-N |
3
Targets
5
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
5.21
ALogP
6
HBA
2
HBD
87.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-like protein 1 CHEMBL4625 | IC50 | 7.7 | 7.69 | 20.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.64 | 7.64 | 23.0 | 2 |
| MEF CHEMBL614342 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 9.6 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 8.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-2-like protein 1 | IC50 | = | 20.0 | nM | 7.7 | Displacement of 26-mer BIMBH3 peptide from GST-tagged Bcl-Xl (unknown origin) by... | 24944740 |
| Bcl-2-like protein 1 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of GST-tagged Bcl-xL (unknown origin) measured after 1 hr incubation ... | 25797160 |
| Unchecked | IC50 | = | 23.0 | nM | 7.64 | Inhibition of human GST tagged-Bcl-XL deltaC25 mutant by AlphaScreen assay | 26988306 |
| Unchecked | IC50 | = | 23.0 | nM | 7.64 | Inhibition of human GST-tagged BCL-XL deltaC25 mutant using biotinylated BIM 26-... | 31580668 |
| MEF | IC50 | = | 290.0 | nM | 6.54 | Induction of apoptosis in mouse mcl-1 deficient MEF cells assessed as cytochrome... | 24944740 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24944740 | 10.1021/ml500030p | Rattus norvegicus | 2 |
| 24944740 | 10.1021/ml500030p | Bcl-2-like protein 1 | 1 |
| 24944740 | 10.1021/ml500030p | Apoptosis regulator Bcl-2 | 1 |
| 24944740 | 10.1021/ml500030p | MEF | 1 |
| 25797160 | 10.1016/j.bmc.2015.02.060 | Bcl-2-like protein 1 | 1 |
| 26988306 | 10.1016/j.bmcl.2016.03.032 | Unchecked | 1 |
| 31580668 | 10.1021/acs.jmedchem.9b00983 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine