Compound Detail
CHEMBL3899940
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Basic Information
| ChEMBL ID | CHEMBL3899940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYNYGUYHKZWCAU-FPOVZHCZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
1.98
ALogP
6
HBA
3
HBD
116.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aggrecanase CHEMBL3988627 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aggrecanase | IC50 | = | 10.0 | nM | 8.0 | Inhibition of aggrecanase in primary porcine chondrocytes assessed as inhibition... | - |
| Interstitial collagenase | IC50 | = | 200.0 | nM | 6.7 | Inhibition of trypsin-activated recombinant human collagenase 1 preincubated wit... | - |
Data from ChEMBL 36 via Core Engine