Compound Detail
CHEMBL1544901
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Basic Information
| ChEMBL ID | CHEMBL1544901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPLQCARIFVAYOT-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
215.2
MW (Da)
1.41
ALogP
6
HBA
1
HBD
115.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.43
IC50 1 meas. best 4.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.43 | 5.43 | 3721.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.42 | 5.42 | 3816.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.0 | 5.0 | 9990.0 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 4.49 | 4.49 | 32300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 3721.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 3816.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 9990.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Matrix metalloproteinase-14 | IC50 | = | 32300.0 | nM | 4.49 | PubChem BioAssay. Dose Response confirmation of uHTS hits for a small molecule i... | - |
Data from ChEMBL 36 via Core Engine