Compound Detail
CHEMBL4633214
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CCNCC.CCn1c(O)c(C(c2ccc(Cl)cc2Cl)c2c(O)n(CC)c(=S)n(CC)c2=O)c(=O)n(CC)c1=S
Basic Information
| ChEMBL ID | CHEMBL4633214 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USUAHBFKTLIHAS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4651206 |
| Active Moiety | CHEMBL4651206 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
557.5
MW (Da)
5.05
ALogP
10
HBA
2
HBD
94.3
PSA (Ų)
0.40
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.71 | 4.71 | 19400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 19400.0 | nM | 4.71 | 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