Compound Detail
CHEMBL3670935
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CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CC2(O)CCN(C[C@@H](O)CO)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL3670935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNCNIMAKVCFORU-QQHIZMLBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
478.6
MW (Da)
3.08
ALogP
7
HBA
3
HBD
94.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 4 CHEMBL3638324 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 4 | IC50 | = | 24.0 | nM | 7.62 | Radio Ligand Binding Assay: Serial dilutions of compounds (stock in 10 mM DMSO) ... | - |
Data from ChEMBL 36 via Core Engine