Compound Detail
CHEMBL4434666
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CS(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc(S(=O)(=O)c3ccc(CN)s3)cc2)CC1.Cl.Cl
Basic Information
| ChEMBL ID | CHEMBL4434666 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRDWCFIVVGBCOT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4597283 |
| Active Moiety | CHEMBL4597283 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
507.7
MW (Da)
0.39
ALogP
9
HBA
1
HBD
134.9
PSA (Ų)
0.54
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 530.0 | nM | 6.28 | Inhibition of pig skin LOX incubated for 45 mins by Amplex red dye based and HRP... | - |
Data from ChEMBL 36 via Core Engine