Compound Detail
CHEMBL1488172
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Basic Information
| ChEMBL ID | CHEMBL1488172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXFRSLRXSBGCHN-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
4.85
ALogP
4
HBA
2
HBD
58.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.15
IC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Botulinum neurotoxin type A CHEMBL5192 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 6.15 | 6.15 | 705.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.82 | 5.82 | 1516.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.2 | 4.2 | 63515.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Botulinum neurotoxin type A | IC50 | = | 700.0 | nM | 6.16 | Inhibition of protease activity of recombinant full length Clostridium botulinum... | 28043798 |
| Streptokinase A | EC50 | = | 705.0 | nM | 6.15 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 1516.0 | nM | 5.82 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 63515.0 | nM | 4.2 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28043798 | 10.1016/j.bmcl.2016.11.019 | Botulinum neurotoxin type A | 2 |
Data from ChEMBL 36 via Core Engine