Compound Detail
CHEMBL1377629
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Basic Information
| ChEMBL ID | CHEMBL1377629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTBYYFABLDEWPS-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
383.8
MW (Da)
4.42
ALogP
5
HBA
1
HBD
88.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.53
IC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.53 | 5.005 | 2957.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.29 | 5.29 | 5144.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.05 | 5.05 | 8802.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.02 | 5.02 | 9598.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 2957.0 | nM | 5.53 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 5144.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | IC50 | = | 8802.0 | nM | 5.05 | PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to... | - |
| Streptococcus | EC50 | = | 9598.0 | nM | 5.02 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Streptokinase A | EC50 | = | 33328.0 | nM | 4.48 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
Data from ChEMBL 36 via Core Engine