Compound Detail
CHEMBL3675733
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CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OC[C@H]2CC[C@@H](NC(=O)[C@H]3NCC[C@H]3O)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL3675733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFYROALCFSAGPG-IMIIGWPFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
505.7
MW (Da)
3.28
ALogP
7
HBA
3
HBD
100.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 4 CHEMBL3638324 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 4 | IC50 | = | 54.0 | nM | 7.27 | Radio Ligand Binding Assay: Serial dilutions of compounds (stock in 10 mM DMSO) ... | - |
Data from ChEMBL 36 via Core Engine