Compound Detail
CHEMBL3093896
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Basic Information
| ChEMBL ID | CHEMBL3093896 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BATJFTXGUXZDCD-STQMWFEESA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
322.2
MW (Da)
1.83
ALogP
3
HBA
1
HBD
70.1
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.4 | 8.4 | 4.0 | 2 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 5.71 | 5.71 | 1950.0 | 1 |
| Prolyl endopeptidase FAP CHEMBL4683 | IC50 | 5.57 | 5.57 | 2690.0 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 5.39 | 5.39 | 4110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of 6xHis-tagged recombinant human DPP4 expressed in baculovirus expre... | 24153396 |
| Dipeptidyl peptidase 4 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of DPP-4 (unknown origin) | 34428715 |
| Dipeptidyl peptidase 8 | IC50 | = | 900.0 | nM | 6.05 | Inhibition of 6xHis-tagged recombinant DPP8 (unknown origin) expressed in baculo... | 24153396 |
| Dipeptidyl peptidase 9 | IC50 | = | 1950.0 | nM | 5.71 | Inhibition of 6xHis-tagged recombinant DPP9 (unknown origin) expressed in baculo... | 24153396 |
| Prolyl endopeptidase FAP | IC50 | = | 2690.0 | nM | 5.57 | Inhibition of 6xHis-tagged recombinant FAP (unknown origin) expressed in baculov... | 24153396 |
| Dipeptidyl peptidase 2 | IC50 | = | 4110.0 | nM | 5.39 | Inhibition of 6xHis-tagged recombinant DPP7 (unknown origin) expressed in baculo... | 24153396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24153396 | 10.1016/j.bmc.2013.09.048 | Unchecked | 2 |
| 24153396 | 10.1016/j.bmc.2013.09.048 | Prolyl endopeptidase FAP | 1 |
| 24153396 | 10.1016/j.bmc.2013.09.048 | Dipeptidyl peptidase 9 | 1 |
| 24153396 | 10.1016/j.bmc.2013.09.048 | Dipeptidyl peptidase 8 | 1 |
| 24153396 | 10.1016/j.bmc.2013.09.048 | Dipeptidyl peptidase 2 | 1 |
| 24153396 | 10.1016/j.bmc.2013.09.048 | Dipeptidyl peptidase 4 | 1 |
| 34428715 | 10.1016/j.bmc.2021.116354 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine