Compound Detail
CHEMBL3238312
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CC#C[C@H]1CN(S(=O)(=O)c2ccc(N)nc2)CCN1c1ccc(C(O)(CO)C(F)(F)F)cn1
Basic Information
| ChEMBL ID | CHEMBL3238312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZAJRLOTZNWGPU-FUKCDUGKSA-N |
2
Targets
2
Activities
2
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
485.5
MW (Da)
0.70
ALogP
8
HBA
3
HBD
132.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.84
IC50 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucokinase regulatory protein CHEMBL1075152 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Glucokinase regulatory protein CHEMBL3232700 | EC50 | 6.84 | 6.84 | 145.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 18.0 | mL.min-1.g-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucokinase regulatory protein | IC50 | = | 24.0 | nM | 7.62 | Inhibition of biotin-tagged human GKRP/fluorescein-tagged GK interaction preincu... | 24611879 |
| Glucokinase regulatory protein | EC50 | = | 145.0 | nM | 6.84 | Inhibition of GKRP-GK interaction in mouse hepatocytes assessed as induction of ... | 24611879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24611879 | 10.1021/jm5000497 | Glucokinase regulatory protein | 2 |
| 24611879 | 10.1021/jm5000497 | Liver microsome | 1 |
Data from ChEMBL 36 via Core Engine