Compound Detail
CHEMBL5947677
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CN1C(=O)CSc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@@H]4CNCCCO4)cc3)cc21
Basic Information
| ChEMBL ID | CHEMBL5947677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSLGCWMFHWURGT-FPOVZHCZSA-N |
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
450.6
MW (Da)
2.35
ALogP
6
HBA
2
HBD
94.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 1 CHEMBL2252 | IC50 | 7.89 | 7.89 | 12.9 | 7 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 1 | IC50 | = | 12.9 | nM | 7.89 | Fluorescence Assay A1 for Recombinant Human (RH) DPP1: The activity of DPP1 was ... | - |
| Dipeptidyl peptidase 1 | IC50 | = | 12.9 | nM | 7.89 | Fluorescence Assay for Recombinant Human (RH) DPP1: The activity of DPP1 was det... | - |
| Dipeptidyl peptidase 1 | IC50 | = | 12.9 | nM | 7.89 | Fluorescence Assay: Examples 1-35: The activity of DPP1 was determined by measur... | - |
| Dipeptidyl peptidase 1 | IC50 | = | 12.9 | nM | 7.89 | Fluorescence Assay for Recombinant Human (RH) DPP: The activity of DPP1 was dete... | - |
| Dipeptidyl peptidase 1 | IC50 | = | 12.9 | nM | 7.89 | Fluorescence Assay for Recombinant Human (RH) DPP1: The activity of DPP1 was det... | - |
| Dipeptidyl peptidase 1 | IC50 | = | 12.9 | nM | 7.89 | Fluorescence assay for recombinant human (RH) DPP1: The activity of DPP1 was det... | - |
| Dipeptidyl peptidase 1 | IC50 | = | 12.9 | nM | 7.89 | Fluorescence Assay for Recombinant Human (RH) DPP1: The activity of DPP1 was det... | - |
Data from ChEMBL 36 via Core Engine