Compound Detail
CHEMBL5970978
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
Nc1ccc2c(=O)n(Cc3nc([C@@H]4CO[C@@H](c5ccc(Cl)cc5)C4)no3)ncc2n1
Basic Information
| ChEMBL ID | CHEMBL5970978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMCPTRKQFMHMFO-BLLLJJGKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
424.9
MW (Da)
2.70
ALogP
9
HBA
1
HBD
122.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | IC50 | 8.46 | 8.22 | 3.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 | IC50 | = | 3.5 | nM | 8.46 | FLIPR Assay (90 minutes): The IC50 (effective concentration) of compounds on the... | - |
| Transient receptor potential cation channel subfamily A member 1 | IC50 | = | 10.5 | nM | 7.98 | FLIPR Assay (15 minutes): The IC50 (effective concentration) of compounds on the... | - |
Data from ChEMBL 36 via Core Engine