Compound Detail
CHEMBL233563
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Basic Information
| ChEMBL ID | CHEMBL233563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFPLFCBEVVPYPT-KSMMKXTCSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
3.75
ALogP
4
HBA
1
HBD
55.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.28 | 8.28 | 5.3 | 1 |
| Prolyl endopeptidase FAP CHEMBL4683 | IC50 | 4.97 | 4.97 | 10600.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 4.34 | 4.34 | 45600.0 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 4.21 | 4.21 | 61000.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 4.14 | 4.14 | 72300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 5.3 | nM | 8.28 | Inhibition of DPP4 | 17502141 |
| Prolyl endopeptidase FAP | IC50 | = | 10600.0 | nM | 4.97 | Inhibition of FAP | 17502141 |
| Dipeptidyl peptidase 8 | IC50 | = | 45600.0 | nM | 4.34 | Inhibition of DPP8 | 17502141 |
| Dipeptidyl peptidase 2 | IC50 | = | 61000.0 | nM | 4.21 | Inhibition of QPP | 17502141 |
| Dipeptidyl peptidase 9 | IC50 | = | 72300.0 | nM | 4.14 | Inhibition of DPP9 | 17502141 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17502141 | 10.1016/j.bmcl.2007.04.106 | Dipeptidyl peptidase 4 | 1 |
| 17502141 | 10.1016/j.bmcl.2007.04.106 | Dipeptidyl peptidase 8 | 1 |
| 17502141 | 10.1016/j.bmcl.2007.04.106 | Dipeptidyl peptidase 9 | 1 |
| 17502141 | 10.1016/j.bmcl.2007.04.106 | Dipeptidyl peptidase 2 | 1 |
| 17502141 | 10.1016/j.bmcl.2007.04.106 | Prolyl endopeptidase FAP | 1 |
| 17502141 | 10.1016/j.bmcl.2007.04.106 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine