Compound Detail
CHEMBL3918883
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CCS(=O)(=O)c1ccc(Oc2cc3cc(-c4ccc(CCC(=O)OC)cn4)[nH]c3cc2C2CCC(=O)N2C)cc1
Basic Information
| ChEMBL ID | CHEMBL3918883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZXCTHUPWKAKBH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
561.7
MW (Da)
5.21
ALogP
7
HBA
1
HBD
118.7
PSA (Ų)
0.28
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase-4 CHEMBL3820 | EC50 | 8.72 | 8.72 | 1.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase-4 | EC50 | = | 1.9 | nM | 8.72 | Glucokinase-Activating Assay: To test the exemplified compounds, the following a... | - |
Data from ChEMBL 36 via Core Engine