Compound Detail
CHEMBL4578630
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COc1ccc(S(=O)(=O)CCNC(=O)c2cccc(S(=O)(=O)c3ccc(CN)s3)c2)cc1.Cl
Basic Information
| ChEMBL ID | CHEMBL4578630 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKOOYXRXWNYIIZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4597281 |
| Active Moiety | CHEMBL4597281 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
2.25
ALogP
8
HBA
2
HBD
132.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.12 | 6.12 | 760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 760.0 | nM | 6.12 | Inhibition of pig skin LOX incubated for 45 mins by Amplex red dye based and HRP... | - |
Data from ChEMBL 36 via Core Engine