Compound Detail
CHEMBL557851
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CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN2C(=O)C[C@H](N)Cc2ccccc2F)cc1
Basic Information
| ChEMBL ID | CHEMBL557851 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVTCAZLTNKUBSQ-MOPGFXCFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
1.91
ALogP
5
HBA
2
HBD
109.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 77.0 | nM | 7.11 | Inhibition of DPP4 by continuous fluorimetric assay | 19515557 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19515557 | 10.1016/j.bmcl.2009.05.109 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine