Compound Detail
CHEMBL4858330
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CC(C)(C)OC(=O)N1CCC(N(CC2CC2)c2cc(N3CCc4cc(S(C)(=O)=O)ccc43)ncn2)CC1
Basic Information
| ChEMBL ID | CHEMBL4858330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWJGHTCAUIEAFC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
527.7
MW (Da)
4.19
ALogP
8
HBA
0
HBD
95.9
PSA (Ų)
0.55
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-dependent insulinotropic receptor CHEMBL5652 | EC50 | 7.29 | 7.29 | 51.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-dependent insulinotropic receptor | EC50 | = | 51.0 | nM | 7.29 | Agonist activity at human GPR119 expressed in CHO cells co-expressing cyclic AMP... | 34010766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34010766 | 10.1016/j.bmc.2021.116208 | Glucose-dependent insulinotropic receptor | 1 |
| 34010766 | 10.1016/j.bmc.2021.116208 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 34010766 | 10.1016/j.bmc.2021.116208 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine