Compound Detail
CHEMBL94955
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Basic Information
| ChEMBL ID | CHEMBL94955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNVWOJGOXJFEIJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
347.5
MW (Da)
2.42
ALogP
4
HBA
2
HBD
84.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 | IC50 | = | 2100.0 | nM | 5.68 | In vitro inhibition of porcine Dipeptidylpeptidase II. | 12270155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12270155 | 10.1016/s0960-894x(02)00603-0 | Dipeptidyl peptidase 2 | 1 |
| 12270155 | 10.1016/s0960-894x(02)00603-0 | Dipeptidyl peptidase 4 | 1 |
| 12270155 | 10.1016/s0960-894x(02)00603-0 | Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4) | 1 |
Data from ChEMBL 36 via Core Engine