Compound Detail
CHEMBL201544
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Basic Information
| ChEMBL ID | CHEMBL201544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBNLROSMYAVTTQ-INIZCTEOSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
0.84
ALogP
4
HBA
2
HBD
85.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.25 | 6.25 | 564.0 | 2 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 5.59 | 5.59 | 2592.0 | 2 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 4.68 | 4.68 | 20720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 564.0 | nM | 6.25 | Inhibitory activity against DPP4 | 16392822 |
| Dipeptidyl peptidase 4 | IC50 | = | 564.0 | nM | 6.25 | In vitro inhibition of DPP-4 | 17194587 |
| Dipeptidyl peptidase 8 | IC50 | = | 2592.0 | nM | 5.59 | Inhibitory activity against DPP8 | 16392822 |
| Dipeptidyl peptidase 8 | IC50 | = | 2592.0 | nM | 5.59 | In vitro inhibition of DPP-8 | 17194587 |
| Dipeptidyl peptidase 2 | IC50 | = | 20720.0 | nM | 4.68 | Inhibitory activity against DPP2 | 16392822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16392822 | 10.1021/jm0507781 | Dipeptidyl peptidase 4 | 1 |
| 16392822 | 10.1021/jm0507781 | Dipeptidyl peptidase 8 | 1 |
| 16392822 | 10.1021/jm0507781 | Dipeptidyl peptidase 2 | 1 |
| 17194587 | 10.1016/j.bmcl.2006.12.019 | Dipeptidyl peptidase 4 | 1 |
| 17194587 | 10.1016/j.bmcl.2006.12.019 | Dipeptidyl peptidase 2 | 1 |
| 17194587 | 10.1016/j.bmcl.2006.12.019 | Dipeptidyl peptidase 8 | 1 |
| 17194587 | 10.1016/j.bmcl.2006.12.019 | Prolyl endopeptidase FAP | 1 |
Data from ChEMBL 36 via Core Engine