Compound Detail
CHEMBL1329925
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Basic Information
| ChEMBL ID | CHEMBL1329925 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRIXOSNRVOTWBM-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
483.0
MW (Da)
6.05
ALogP
4
HBA
2
HBD
75.3
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.23
IC50 2 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 6.23 | 6.23 | 590.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 6.18 | 6.18 | 659.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.66 | 5.66 | 2170.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.39 | 5.39 | 4095.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Mucolipin-3 CHEMBL1293243 | EC50 | 4.61 | 4.61 | 24300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 590.0 | nM | 6.23 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 659.0 | nM | 6.18 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | IC50 | = | 2170.0 | nM | 5.66 | PUBCHEM_BIOASSAY: A Cell Based Assay for the Identification of Lead Compounds wi... | - |
| Streptococcus | EC50 | = | 4095.0 | nM | 5.39 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Envelope glycoprotein gp160 | IC50 | = | 17000.0 | nM | 4.77 | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno... | - |
| Mucolipin-3 | EC50 | = | 24300.0 | nM | 4.61 | PUBCHEM_BIOASSAY: Fluorescence counterscreen assay for TRPN1 agonists: dose resp... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30523084 | 10.1126/science.aat9446 | Plasmodium berghei | 4 |
| 30523084 | 10.1126/science.aat9446 | HepG2-CD81 | 2 |
Data from ChEMBL 36 via Core Engine