Compound Detail
CHEMBL3954431
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1ccccc1COc1ccc(S(=O)(=O)N2CCN(C(=O)CN)[C@@H](C)[C@@H]2C(=O)NO)cc1
Basic Information
| ChEMBL ID | CHEMBL3954431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LELBRQIPJQZJNJ-HRAATJIYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
0.63
ALogP
7
HBA
3
HBD
142.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Collagenase 3 CHEMBL280 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Collagenase 3 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of APMA-activated recombinant human collagenase 3 preincubated with p... | - |
Data from ChEMBL 36 via Core Engine