Compound Detail
CHEMBL3646938
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CO[C@@H]1CCN(c2nc(-c3c(C)cccc3C)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)[C@H](C)C1
Basic Information
| ChEMBL ID | CHEMBL3646938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPMXCBKERIKIFK-AOYPEHQESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
498.7
MW (Da)
6.76
ALogP
5
HBA
0
HBD
41.5
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C5a anaphylatoxin chemotactic receptor 1 CHEMBL2373 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C5a anaphylatoxin chemotactic receptor 1 | IC50 | = | 0.5 | nM | 9.3 | FLIPR Assay: Compounds were tested for their ability to inhibit C5a-mediated cal... | - |
Data from ChEMBL 36 via Core Engine