Compound Detail
CHEMBL473107
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Basic Information
| ChEMBL ID | CHEMBL473107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNKDEHKXKOAEBW-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
3.73
ALogP
7
HBA
1
HBD
56.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.4
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Collagenase 3 CHEMBL280 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.4 | 5.4 | 3986.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.37 | 5.37 | 4277.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.0 | 4.0 | 99000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Collagenase 3 | IC50 | = | 900.0 | nM | 6.05 | Inhibition of human recombinant MMP13 expressed in Escherichia coli | 18358729 |
| Streptokinase A | EC50 | = | 3986.0 | nM | 5.4 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 4277.0 | nM | 5.37 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 99000.0 | nM | 4.0 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18358729 | 10.1016/j.bmc.2008.03.004 | Collagenase 3 | 2 |
| 18358729 | 10.1016/j.bmc.2008.03.004 | 72 kDa type IV collagenase | 1 |
| 18358729 | 10.1016/j.bmc.2008.03.004 | Stromelysin-1 | 1 |
| 18358729 | 10.1016/j.bmc.2008.03.004 | Neutrophil collagenase | 1 |
| 18358729 | 10.1016/j.bmc.2008.03.004 | Matrix metalloproteinase-9 | 1 |
| 18358729 | 10.1016/j.bmc.2008.03.004 | Macrophage metalloelastase | 1 |
| 18358729 | 10.1016/j.bmc.2008.03.004 | Interstitial collagenase | 1 |
Data from ChEMBL 36 via Core Engine