Compound Detail
CHEMBL288542
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Basic Information
| ChEMBL ID | CHEMBL288542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXJDCULZDFWMJC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
409.2
MW (Da)
2.36
ALogP
7
HBA
1
HBD
111.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 CHEMBL4860 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| RPMI-8226 CHEMBL614882 | IC50 | 4.9 | 4.9 | 12600.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.25 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of Flu-BakBH3 binding to recombinant GST-tagged Bcl-2 (unknown origin... | 32563811 |
| RPMI-8226 | IC50 | = | 12600.0 | nM | 4.9 | Cytotoxicity against human RPMI-8226 cells assessed as reduction in cell viabili... | 37690265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 32563811 | 10.1016/j.ejmech.2020.112446 | Apoptosis regulator Bcl-2 | 1 |
| 37690265 | 10.1016/j.ejmech.2023.115792 | RPMI-8226 | 1 |
| 37690265 | 10.1016/j.ejmech.2023.115792 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine