Compound Detail
CHEMBL3900683
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Basic Information
| ChEMBL ID | CHEMBL3900683 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCKHSJAFAMATFO-INIZCTEOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
2.14
ALogP
3
HBA
1
HBD
66.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase FAP CHEMBL5769 | IC50 | 8.16 | 8.16 | 6.9 | 1 |
| Prolyl endopeptidase CHEMBL3202 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase FAP | IC50 | = | 6.9 | nM | 8.16 | Enzymatic Assay: Enzyme activities were determined kinetically in a final volume... | - |
| Prolyl endopeptidase | IC50 | = | 500.0 | nM | 6.3 | Enzymatic Assay: Enzyme activities were determined kinetically in a final volume... | - |
Data from ChEMBL 36 via Core Engine