Compound Detail
CHEMBL4747632
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C[C@H](NC(=O)Cn1nc2c(N3CCC34CN(C)C4)cccn2c1=O)c1ccc(Cl)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL4747632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGJOBKWNEUVOKP-AWEZNQCLSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
458.9
MW (Da)
2.06
ALogP
7
HBA
1
HBD
74.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Probable G-protein coupled receptor 139 CHEMBL3632455 | EC50 | 8.0 | 8.0 | 10.0 | 2 |
| Probable G-protein coupled receptor 139 CHEMBL4888453 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Probable G-protein coupled receptor 139 | EC50 | = | 10.0 | nM | 8.0 | Agonist activity at human GPR139 expressed in CHO-K1 cells assessed as increase ... | - |
| Probable G-protein coupled receptor 139 | EC50 | = | 10.0 | nM | 8.0 | Agonist activity at rat GPR139 expressed in CHO-K1 cells assessed as increase in... | - |
| Probable G-protein coupled receptor 139 | EC50 | = | 10.0 | nM | 8.0 | Agonist activity at human GPR139 expressed in CHO-K1 cells assessed as induction... | - |
Data from ChEMBL 36 via Core Engine