Compound Detail
CHEMBL1783748
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Cc1ccc(NC(=O)[C@H](CC2CCC(F)(F)CC2)n2ccc(S(=O)(=O)C(C)C)cc2=O)nc1
Basic Information
| ChEMBL ID | CHEMBL1783748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKPHRGNLPYRZKJ-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
2
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
4.13
ALogP
6
HBA
1
HBD
98.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase-4 CHEMBL3820 | EC50 | 6.8 | 6.8 | 160.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 36.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 8.0 | mL.min-1.kg-1 | Homo sapiens |
| T1/2 | 0.7 | hr | Rattus norvegicus |
| T1/2 | 1.217 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase-4 | EC50 | = | 160.0 | nM | 6.8 | Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophoto... | 19435665 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19435665 | 10.1016/j.bmcl.2009.04.107 | Liver microsomes | 4 |
| 19435665 | 10.1016/j.bmcl.2009.04.107 | Hexokinase-4 | 2 |
Data from ChEMBL 36 via Core Engine