Compound Detail
CHEMBL1463571
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Basic Information
| ChEMBL ID | CHEMBL1463571 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWRFXGOYLYPQAA-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
3.99
ALogP
6
HBA
1
HBD
93.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.5
IC50 2 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 6.5 | 6.5 | 319.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 6.18 | 6.18 | 662.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.13 | 6.13 | 747.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.84 | 5.84 | 1443.0 | 1 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.63 | 4.63 | 23500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 319.0 | nM | 6.5 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 662.0 | nM | 6.18 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | IC50 | = | 747.0 | nM | 6.13 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Streptococcus | EC50 | = | 1443.0 | nM | 5.84 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| C-C chemokine receptor type 6 | IC50 | = | 23500.0 | nM | 4.63 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
Data from ChEMBL 36 via Core Engine