Compound Detail
CHEMBL1650639
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Basic Information
| ChEMBL ID | CHEMBL1650639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSEOOTRDYXCBEW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
2.80
ALogP
5
HBA
2
HBD
79.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 8400.0 | nM | 5.08 | Inhibition of human recombinant MMP2 after 30 mins | 21189019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21189019 | 10.1021/jm101266s | 72 kDa type IV collagenase | 2 |
Data from ChEMBL 36 via Core Engine