Compound Detail
CHEMBL5944310
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CNCc1ccc(/C=C/C(=O)C(C(=O)/C=C/c2ccc(N(C)C)cc2)C(=O)Nc2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL5944310 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAYCVZPQZBLHQU-MXWIWYRXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
4.59
ALogP
5
HBA
2
HBD
78.5
PSA (Ų)
0.31
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Collagenase 3 CHEMBL280 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Collagenase 3 | IC50 | = | 45000.0 | nM | 4.35 | Inhibition of MMPs: It has been observed that 50 and 100 μM concentrations of cu... | - |
Data from ChEMBL 36 via Core Engine