Compound Detail
CHEMBL4472470
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CC(=O)N1CCCN(CCS(=O)(=O)c2ccc(S(=O)(=O)c3ccc(CN)s3)cc2)CC1.Cl.Cl
Basic Information
| ChEMBL ID | CHEMBL4472470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBHDIEWKNDYSOE-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4595499 |
| Active Moiety | CHEMBL4595499 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
1.37
ALogP
8
HBA
1
HBD
117.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 590.0 | nM | 6.23 | Inhibition of pig skin LOX incubated for 45 mins by Amplex red dye based and HRP... | - |
Data from ChEMBL 36 via Core Engine