Compound Detail
CHEMBL3652599
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O=C(NC(c1ccc(F)cc1)c1ccnc(F)c1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1
Basic Information
| ChEMBL ID | CHEMBL3652599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPLGKYRHYYLJLJ-OCYUSGCXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
570.5
MW (Da)
5.61
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.39
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal Pro-X carboxypeptidase CHEMBL2335 | IC50 | 9.74 | 9.74 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal Pro-X carboxypeptidase | IC50 | = | 0.18 | nM | 9.74 | Enzyme Activity Assay: The potency of compounds of formula I against PrCP was de... | - |
Data from ChEMBL 36 via Core Engine