Compound Detail
CHEMBL1341012
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Basic Information
| ChEMBL ID | CHEMBL1341012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKBMRUVXIVHHLM-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
434.8
MW (Da)
5.17
ALogP
6
HBA
1
HBD
96.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.88
IC50 3 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.92 | 5.92 | 1192.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.88 | 5.88 | 1330.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.68 | 5.68 | 2088.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 CHEMBL2096976 | IC50 | 5.6 | 5.6 | 2513.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.27 | 5.27 | 5364.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 5.25 | 5.25 | 5682.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1192.0 | nM | 5.92 | PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a... | - |
| Streptokinase A | EC50 | = | 1330.0 | nM | 5.88 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 2088.0 | nM | 5.68 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 | IC50 | = | 2513.0 | nM | 5.6 | PUBCHEM_BIOASSAY: Counterscreen for agonists of nuclear receptor subfamily 2, gr... | - |
| Streptococcus | EC50 | = | 5364.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| No relevant target | IC50 | = | 5682.0 | nM | 5.25 | PubChem BioAssay. Counterscreen for molecules that bind rCAG RNA repeats: fluore... | - |
Data from ChEMBL 36 via Core Engine