Compound Detail
CHEMBL5590435
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1ccc(S(=O)(=O)N2CC[C@@H]2C(=O)N(Cc2ccc(C3CCCCC3)cn2)c2ccc(C(=O)O)c(O)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL5590435 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBDMHWKHXBSPGM-HHHXNRCGSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
563.7
MW (Da)
4.84
ALogP
6
HBA
2
HBD
128.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 CHEMBL4026 | IC50 | 4.08 | 4.0733 | 82500.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 | IC50 | = | 83600.0 | nM | 4.08 | Displacement of 5-carboxyfluorescein GpYLPQTV-NH2 probe from C-terminal 6His-tag... | 38008341 |
| Signal transducer and activator of transcription 3 | IC50 | = | 82500.0 | nM | 4.08 | Displacement of 5-carboxyfluorescein GpYLPQTV-NH2 probe from C-terminal 6His-tag... | 38008341 |
| Signal transducer and activator of transcription 3 | IC50 | = | 86400.0 | nM | 4.06 | Displacement of 5-carboxyfluorescein GpYLPQTV-NH2 probe from C-terminal 6His-tag... | 38008341 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38008341 | 10.1016/j.bmcl.2023.129565 | Signal transducer and activator of transcription 3 | 3 |
Data from ChEMBL 36 via Core Engine