Compound Detail
CHEMBL474933
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Basic Information
| ChEMBL ID | CHEMBL474933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJIWTQZYGOAIKX-IERUDJENSA-N |
| Parent Compound | CHEMBL1186702 |
| Active Moiety | CHEMBL1186702 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
2.50
ALogP
6
HBA
1
HBD
77.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 4.82 | 4.82 | 15200.0 | 1 |
| Collagenase 3 CHEMBL280 | IC50 | 4.61 | 4.61 | 24700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, germ cell type | IC50 | = | 15200.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical inhibitors of ... | - |
| Collagenase 3 | IC50 | = | 24700.0 | nM | 4.61 | Inhibition of human recombinant MMP13 expressed in Escherichia coli | 18358729 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18358729 | 10.1016/j.bmc.2008.03.004 | Collagenase 3 | 1 |
Data from ChEMBL 36 via Core Engine