Compound Detail
CHEMBL3260536
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COCCN(C)C(=O)C(C)(Cc1ccccc1)c1ccnc2c(-c3ccc(C(F)(F)F)cc3)cnn12
Basic Information
| ChEMBL ID | CHEMBL3260536 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIMRYZSSMLZOQX-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
496.5
MW (Da)
5.02
ALogP
5
HBA
0
HBD
59.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-dependent insulinotropic receptor CHEMBL5652 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
| Glucose-dependent insulinotropic receptor CHEMBL5263 | EC50 | 7.52 | 7.415 | 30.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 6.82 | 6.82 | 150.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 2300.0 | nM | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-dependent insulinotropic receptor | EC50 | = | 1.0 | nM | 9.0 | Agonist activity at human GPR119 overexpressed in CHO cells assessed as stimulat... | 24751443 |
| Glucose-dependent insulinotropic receptor | EC50 | = | 30.0 | nM | 7.52 | Agonist activity at GPR119 in mouse GLUTag cells assessed as stimulation of GLP1... | 24751443 |
| Glucose-dependent insulinotropic receptor | EC50 | = | 49.0 | nM | 7.31 | Agonist activity at mouse GPR119 overexpressed in CHO cells assessed as stimulat... | 24751443 |
| Unchecked | EC50 | = | 150.0 | nM | 6.82 | Agonist activity at GPR119 in hamster HIT-T15 cells assessed as stimulation of i... | 24751443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24751443 | 10.1016/j.bmcl.2014.03.023 | Glucose-dependent insulinotropic receptor | 6 |
| 24751443 | 10.1016/j.bmcl.2014.03.023 | Mus musculus | 3 |
| 24751443 | 10.1016/j.bmcl.2014.03.023 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine