Compound Detail
CHEMBL200347
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Basic Information
| ChEMBL ID | CHEMBL200347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFHXVIXBGWKRGK-OALUTQOASA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
2.74
ALogP
3
HBA
1
HBD
70.1
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.84
Ki 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.84 | 6.84 | 145.0 | 1 |
| Prolyl endopeptidase FAP CHEMBL4683 | IC50 | 5.85 | 5.85 | 1410.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 5.46 | 5.46 | 3440.0 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 5.38 | 5.38 | 4130.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 5.03 | 5.03 | 9420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | Ki | = | 13.0 | nM | 7.89 | Inhibition of human DPP4 | 16236500 |
| Dipeptidyl peptidase 4 | IC50 | = | 145.0 | nM | 6.84 | Inhibition of 6xHis-tagged recombinant human DPP4 expressed in baculovirus expre... | 24153396 |
| Prolyl endopeptidase FAP | IC50 | = | 1410.0 | nM | 5.85 | Inhibition of 6xHis-tagged recombinant FAP (unknown origin) expressed in baculov... | 24153396 |
| Dipeptidyl peptidase 8 | IC50 | = | 3440.0 | nM | 5.46 | Inhibition of 6xHis-tagged recombinant DPP8 (unknown origin) expressed in baculo... | 24153396 |
| Dipeptidyl peptidase 2 | IC50 | = | 4130.0 | nM | 5.38 | Inhibition of 6xHis-tagged recombinant DPP7 (unknown origin) expressed in baculo... | 24153396 |
| Dipeptidyl peptidase 9 | IC50 | = | 9420.0 | nM | 5.03 | Inhibition of 6xHis-tagged recombinant DPP9 (unknown origin) expressed in baculo... | 24153396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24153396 | 10.1016/j.bmc.2013.09.048 | Unchecked | 3 |
| 16236500 | 10.1016/j.bmcl.2005.09.037 | Caco-2 | 2 |
| 16236500 | 10.1016/j.bmcl.2005.09.037 | Dipeptidyl peptidase 4 | 1 |
| 16236500 | 10.1016/j.bmcl.2005.09.037 | Liver microsomes | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine