Compound Detail
CHEMBL331950
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Basic Information
| ChEMBL ID | CHEMBL331950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMKQEMHOYYTGRT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.2
MW (Da)
4.76
ALogP
3
HBA
2
HBD
64.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.04 | 6.04 | 920.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.04 | 6.04 | 920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 920.0 | nM | 6.04 | Inhibition of Dipeptidylpeptidase IV | 15177478 |
| Dipeptidyl peptidase 4 | IC50 | = | 920.0 | nM | 6.04 | Inhibition of DPP4 | 21996520 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15177478 | 10.1016/j.bmcl.2004.04.049 | Unchecked | 1 |
| 21996520 | 10.1016/j.bmcl.2011.09.074 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine