Compound Detail
CHEMBL3237986
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C#CCC(O)(c1ccc(N2CCN(S(=O)(=O)c3ccc(N)nc3)C[C@@H]2C#CC)cc1)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL3237986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTEFJOBEPIWUBS-YDNXMHBPSA-N |
2
Targets
2
Activities
2
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
492.5
MW (Da)
2.34
ALogP
6
HBA
2
HBD
99.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.89
IC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucokinase regulatory protein CHEMBL1075152 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Glucokinase regulatory protein CHEMBL3232700 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 59.0 | 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 | = | 6.0 | nM | 8.22 | Inhibition of biotin-tagged human GKRP/fluorescein-tagged GK interaction preincu... | 24611879 |
| Glucokinase regulatory protein | EC50 | = | 130.0 | nM | 6.89 | 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