Compound Detail
CHEMBL1598442
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Basic Information
| ChEMBL ID | CHEMBL1598442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RULBLZKSANQWSB-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
3.71
ALogP
6
HBA
0
HBD
57.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.83
IC50 2 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164 | IC50 | 5.12 | 5.12 | 7521.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 4.83 | 4.83 | 14718.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 4.57 | 4.57 | 27142.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.39 | 4.39 | 40800.0 | 1 |
| Serine/threonine-protein phosphatase CHEMBL1293265 | IC50 | 4.17 | 4.17 | 66842.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit | IC50 | = | 7521.0 | nM | 5.12 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Streptokinase A | EC50 | = | 14718.0 | nM | 4.83 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 27142.0 | nM | 4.57 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | EC50 | = | 40800.0 | nM | 4.39 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits that enhance the survi... | - |
| Serine/threonine-protein phosphatase | IC50 | = | 66842.0 | nM | 4.17 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of PP1: fluorescence-based bioche... | - |
Data from ChEMBL 36 via Core Engine