Compound Detail
CHEMBL273327
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Basic Information
| ChEMBL ID | CHEMBL273327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZXYHOIFTIWFNM-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
240.2
MW (Da)
3.14
ALogP
3
HBA
1
HBD
46.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.02
IC50 1 meas. best 4.51
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H9 | EC50 | = | 9530.0 | nM | 5.02 | Concentration required to inhibit viral replication in acutely infected H9 lymph... | 11354375 |
| H9 | IC50 | = | 30700.0 | nM | 4.51 | Concentration required to inhibit uninfected H9 cell growth when tested for anti... | 11354375 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11354375 | 10.1016/s0960-894x(01)00190-1 | KB | 2 |
| 11354375 | 10.1016/s0960-894x(01)00190-1 | H9 | 2 |
| 37473690 | 10.1016/j.ejmech.2023.115631 | Nuclear receptor subfamily 1 group I member 3 | 2 |
| 11354375 | 10.1016/s0960-894x(01)00190-1 | Tubulin | 1 |
| 11354375 | 10.1016/s0960-894x(01)00190-1 | SK-MEL-2 | 1 |
| 11354375 | 10.1016/s0960-894x(01)00190-1 | HCT-8 | 1 |
| 11354375 | 10.1016/s0960-894x(01)00190-1 | MCF7 | 1 |
| 11354375 | 10.1016/s0960-894x(01)00190-1 | A549 | 1 |
| 11354375 | 10.1016/s0960-894x(01)00190-1 | 1A9 | 1 |
| 11354375 | 10.1016/s0960-894x(01)00190-1 | ADMET | 1 |
| 37473690 | 10.1016/j.ejmech.2023.115631 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine