Compound Detail
CHEMBL1598101
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Basic Information
| ChEMBL ID | CHEMBL1598101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAEAFNVULNJJSX-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
5.96
ALogP
5
HBA
1
HBD
63.6
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.4
IC50 1 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.4 | 5.4 | 4001.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.38 | 5.38 | 4143.0 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 4.5 | 4.5 | 31300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 4001.0 | nM | 5.4 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 4143.0 | nM | 5.38 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Matrix metalloproteinase-14 | IC50 | = | 31300.0 | nM | 4.5 | PubChem BioAssay. Dose Response confirmation of uHTS hits for a small molecule i... | - |
Data from ChEMBL 36 via Core Engine