Compound Detail
CHEMBL1505788
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Basic Information
| ChEMBL ID | CHEMBL1505788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZZXJXVVDIPROL-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
329.8
MW (Da)
4.35
ALogP
5
HBA
0
HBD
47.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.3
IC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.3 | 5.3 | 4960.0 | 1 |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164 | IC50 | 5.19 | 5.19 | 6474.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.03 | 5.03 | 9347.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.82 | 4.82 | 15314.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.73 | 4.7 | 18624.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 4960.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit | IC50 | = | 6474.0 | nM | 5.19 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Streptococcus sp. 'group A' | EC50 | = | 9347.0 | nM | 5.03 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 15314.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Unchecked | EC50 | = | 18624.0 | nM | 4.73 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 21619.0 | nM | 4.67 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
Data from ChEMBL 36 via Core Engine