Compound Detail
CHEMBL5987664
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CS(=O)(=O)Oc1cccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3CNCCCO3)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL5987664 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRYUDRJLDSHZAO-FPOVZHCZSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
1.62
ALogP
7
HBA
2
HBD
117.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 1 CHEMBL2252 | IC50 | 7.1 | 7.1 | 79.4 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 1 | IC50 | = | 79.4 | nM | 7.1 | Fluorescence Assay A1 for Recombinant Human (RH) DPP1: The activity of DPP1 was ... | - |
| Dipeptidyl peptidase 1 | IC50 | = | 79.4 | nM | 7.1 | Fluorescence Assay for Recombinant Human (RH) DPP1: The activity of DPP1 was det... | - |
| Dipeptidyl peptidase 1 | IC50 | = | 79.4 | nM | 7.1 | Fluorescence Assay: Examples 1-35: The activity of DPP1 was determined by measur... | - |
| Dipeptidyl peptidase 1 | IC50 | = | 79.4 | nM | 7.1 | Fluorescence Assay for Recombinant Human (RH) DPP1: The activity of DPP1 was det... | - |
| Dipeptidyl peptidase 1 | IC50 | = | 79.4 | nM | 7.1 | Fluorescence assay for recombinant human (RH) DPP1: The activity of DPP1 was det... | - |
| Dipeptidyl peptidase 1 | IC50 | = | 79.4 | nM | 7.1 | Fluorescence Assay for Recombinant Human (RH) DPP1: The activity of DPP1 was det... | - |
Data from ChEMBL 36 via Core Engine