Compound Detail
CHEMBL4552380
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
NS(=O)(=O)c1ccc(-c2cn([C@H](Cc3ccccc3)C(=O)NCCc3ccsc3)nn2)cc1
Basic Information
| ChEMBL ID | CHEMBL4552380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEIQMBXHBBOYON-JOCHJYFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
2.80
ALogP
7
HBA
2
HBD
120.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase CHEMBL2095180 | Ki | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase | Ki | = | 0.2 | nM | 9.7 | Inhibition of carbonic anhydrase (unknown origin) | 31534652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31534652 | 10.1039/C9MD00218A | Carbonic anhydrase | 1 |
Data from ChEMBL 36 via Core Engine