Compound Detail
CHEMBL332123
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Basic Information
| ChEMBL ID | CHEMBL332123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBKQCDCXBRRKLB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
370.3
MW (Da)
3.04
ALogP
6
HBA
2
HBD
81.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.2 | nM | 9.7 | Inhibitory concentration against Dipeptidylpeptidase IV | 15177477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15177477 | 10.1016/j.bmcl.2004.04.048 | Unchecked | 1 |
| 15177477 | 10.1016/j.bmcl.2004.04.048 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine