Compound Detail
CHEMBL3359090
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Basic Information
| ChEMBL ID | CHEMBL3359090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUSHWPWUZSOLNV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
462.5
MW (Da)
3.20
ALogP
6
HBA
3
HBD
119.3
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Collagenase 3 CHEMBL280 | IC50 | 10.52 | 10.52 | 0.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 233.33 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Collagenase 3 | IC50 | = | 0.03 | nM | 10.52 | Inhibition of human recombinant MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate a... | 25264600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25264600 | 10.1021/jm500981k | Liver microsome | 1 |
| 25264600 | 10.1021/jm500981k | Rattus norvegicus | 1 |
| 25264600 | 10.1021/jm500981k | Collagenase 3 | 1 |
| 34437804 | 10.1021/acs.jmedchem.1c00441 | HEK293 | 1 |
| 34437804 | 10.1021/acs.jmedchem.1c00441 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine