Compound Detail
CHEMBL3936580
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Basic Information
| ChEMBL ID | CHEMBL3936580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXJCXKAFPLOBTM-FQEVSTJZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
1.93
ALogP
5
HBA
2
HBD
108.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 1 CHEMBL2252 | IC50 | 9.6 | 9.2 | 0.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 1 | IC50 | = | 0.2512 | nM | 9.6 | Inhibition of human recombinant DPP1 using Gly-Arg-AMC as substrate preincubated... | 27690432 |
| Dipeptidyl peptidase 1 | IC50 | = | 1.585 | nM | 8.8 | Inhibition of DPP1 in human U937 cells using Gly-Phe-AFC as substrate preincubat... | 27690432 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27690432 | 10.1021/acs.jmedchem.6b01127 | Dipeptidyl peptidase 1 | 2 |
Data from ChEMBL 36 via Core Engine