Compound Detail
CHEMBL5559419
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COc1ccccc1[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)N(Cc1ccco1)Cc1cccs1
Basic Information
| ChEMBL ID | CHEMBL5559419 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYIGLWQQAMROOF-HHHXNRCGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
563.7
MW (Da)
4.44
ALogP
7
HBA
2
HBD
121.7
PSA (Ų)
0.26
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit CHEMBL5955 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of OGT (unknown origin) | 38142509 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38142509 | 10.1016/j.ejmech.2023.116040 | HCT-116 | 1 |
| 38142509 | 10.1016/j.ejmech.2023.116040 | UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | 1 |
Data from ChEMBL 36 via Core Engine