Compound Detail
CHEMBL4796258
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CONC(=O)c1ccc(N(Cc2ccc(C3CCCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL4796258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FELKYTDLWHXWQR-JOCHJYFZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
670.6
MW (Da)
5.25
ALogP
6
HBA
1
HBD
108.9
PSA (Ų)
0.14
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 CHEMBL4026 | IC50 | 5.71 | 5.71 | 1956.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 | IC50 | = | 1960.0 | nM | 5.71 | Inhibition of oligonucleotide [32P]-labelled 5'-AGCITCATTTCCCGTAAATCCCTA probe b... | 33352047 |
| Signal transducer and activator of transcription 3 | IC50 | = | 1956.0 | nM | 5.71 | In Vitro Assay: Nuclear extract preparations and DNA-binding activity/electropho... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33352047 | 10.1021/acs.jmedchem.0c01705 | MDA-MB-231 | 1 |
| 33352047 | 10.1021/acs.jmedchem.0c01705 | MDA-MB-468 | 1 |
| 33352047 | 10.1021/acs.jmedchem.0c01705 | MCF7 | 1 |
| 33352047 | 10.1021/acs.jmedchem.0c01705 | MCF-10A | 1 |
| 33352047 | 10.1021/acs.jmedchem.0c01705 | Signal transducer and activator of transcription 3 | 1 |
Data from ChEMBL 36 via Core Engine