Compound Detail
CHEMBL3236270
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Basic Information
| ChEMBL ID | CHEMBL3236270 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMSADWUAETZEMG-KTXUZGJCSA-N |
| Parent Compound | CHEMBL3546275 |
| Active Moiety | CHEMBL3546275 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
402.6
MW (Da)
6.02
ALogP
5
HBA
0
HBD
46.3
PSA (Ų)
0.23
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL4035 | Ki | 9.02 | 9.02 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | Ki | = | 0.95 | nM | 9.02 | Competitive inhibition of rat brain prolyl oligopeptidase | 24763264 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24763264 | 10.1016/j.ejmech.2014.04.014 | Prolyl endopeptidase | 1 |
Data from ChEMBL 36 via Core Engine