Compound Detail
CHEMBL3580737
MK-0941 FREE BASE 🧪 Phase II
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🧪 Phase II
CCS(=O)(=O)c1ccc(Oc2cc(O[C@@H](C)CO)cc(C(=O)Nc3ccn(C)n3)c2)cn1
Basic Information
| ChEMBL ID | CHEMBL3580737 |
| Name | MK-0941 FREE BASE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | KJSGTWFWVTYPFZ-AWEZNQCLSA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
460.5
MW (Da)
2.41
ALogP
9
HBA
2
HBD
132.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
EC50 1 meas. best 8.02
Kd 1 meas. best 8.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase-4 CHEMBL3820 | Kd | 8.53 | 8.53 | 2.9 | 1 |
| Hexokinase-4 CHEMBL3820 | EC50 | 8.02 | 8.02 | 9.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.2722 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase-4 | Kd | = | 2.93 | nM | 8.53 | Binding affinity to biotinylated human recombinant glucokinase expressed in Esch... | - |
| Hexokinase-4 | EC50 | = | 9.5 | nM | 8.02 | Activation of recombinant human glucokinase assessed as formation of glucose-6-p... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00027G | Hexokinase-4 | 5 |
| - | 10.1039/C4MD00027G | Rattus norvegicus | 2 |
| - | 10.1039/C4MD00027G | Homo sapiens | 1 |
| - | 10.1039/C4MD00027G | ADMET | 1 |
Data from ChEMBL 36 via Core Engine