Compound Detail
CHEMBL5788675
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCN3CC(CF)C3)cc2)N1CC(C)(C)F
Basic Information
| ChEMBL ID | CHEMBL5788675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPBQTKXTHVMANC-XHCCPWGMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
5.53
ALogP
3
HBA
1
HBD
31.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.87 | 8.87 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.35 | nM | 8.87 | LanthaScreen Competitive Binding Assay: Compounds were screened for their abilit... | - |
Data from ChEMBL 36 via Core Engine