Compound Detail
CHEMBL4640522
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CC1=NN(c2ccc([N+](=O)[O-])cc2)C/C1=C/c1cn(-c2ccccc2)nc1-c1cc2cc(Br)ccc2oc1=O
Basic Information
| ChEMBL ID | CHEMBL4640522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQIUVDKNAPDYSM-MOSHPQCFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
582.4
MW (Da)
6.60
ALogP
8
HBA
0
HBD
106.8
PSA (Ų)
0.13
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of alpha-glucosidase (unknown origin) | 32008883 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32008883 | 10.1016/j.bmc.2019.115263 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine