Compound Detail
CHEMBL4782382
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CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CCCN1CCN(c3noc(-c4ccccc4)n3)CC1)c(=O)n2C
Basic Information
| ChEMBL ID | CHEMBL4782382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIJXIAZXZYHZMV-HSZRJFAPSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
586.7
MW (Da)
1.11
ALogP
13
HBA
1
HBD
136.5
PSA (Ų)
0.30
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.84
IC50 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
| Glucose-dependent insulinotropic receptor CHEMBL5652 | EC50 | 5.84 | 5.84 | 1450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 680.0 | nM | 6.17 | Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate in... | 31926470 |
| Glucose-dependent insulinotropic receptor | EC50 | = | 1450.0 | nM | 5.84 | Agonist activity at CREB-LBD and Gal4-DBD fused recombinant human GPR119 express... | 31926470 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31926470 | 10.1016/j.ejmech.2019.112017 | ADMET | 3 |
| 31926470 | 10.1016/j.ejmech.2019.112017 | Dipeptidyl peptidase 4 | 2 |
| 31926470 | 10.1016/j.ejmech.2019.112017 | Glucose-dependent insulinotropic receptor | 2 |
| 31926470 | 10.1016/j.ejmech.2019.112017 | Vero | 1 |
Data from ChEMBL 36 via Core Engine