Compound Detail
CHEMBL3691687
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O=C1CCc2cc(S(=O)(=O)NC(C(=O)N3CCC(Cc4ccccc4)CC3)c3ccccc3)ccc2N1
Basic Information
| ChEMBL ID | CHEMBL3691687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLSRCZNPQXSSQP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
517.6
MW (Da)
4.07
ALogP
4
HBA
2
HBD
95.6
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit CHEMBL5955 | Kd | 5.7 | 5.7 | 2000.0 | 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 | Kd | = | 2000.0 | nM | 5.7 | Inhibition Assay: 384-well plates (Costar #3654) were filled using a liquid hand... | - |
Data from ChEMBL 36 via Core Engine