Compound Detail
CHEMBL4846307
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CS(=O)(=O)N1CCC(Oc2cc(N(C3CCN(c4nc(C5CC5)no4)CC3)C(F)(F)F)ncn2)CC1
Basic Information
| ChEMBL ID | CHEMBL4846307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCMLTRVYDAYZPA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
531.6
MW (Da)
2.54
ALogP
10
HBA
0
HBD
117.8
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-dependent insulinotropic receptor CHEMBL5652 | EC50 | 8.27 | 8.27 | 5.4 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 31.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 13.0 | mL.min-1.g-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-dependent insulinotropic receptor | EC50 | = | 5.4 | nM | 8.27 | 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 | ADMET | 2 |
| 34010766 | 10.1016/j.bmc.2021.116208 | Glucose-dependent insulinotropic receptor | 1 |
| 34010766 | 10.1016/j.bmc.2021.116208 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine