Compound Detail
CHEMBL3955144
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Cc1ccc(F)cc1COc1ccc(S(=O)(=O)N2CC(=O)N[C@@H](C)[C@@H]2C(=O)NO)cc1
Basic Information
| ChEMBL ID | CHEMBL3955144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDFMSYGPUBBXOI-ORAYPTAESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
1.10
ALogP
6
HBA
3
HBD
125.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Collagenase 3 CHEMBL280 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Collagenase 3 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of APMA-activated recombinant human collagenase 3 preincubated with p... | - |
Data from ChEMBL 36 via Core Engine