Compound Detail
CHEMBL1586706
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Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)c3ccccc3n2)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL1586706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COFXHMAGNCARMW-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
512.6
MW (Da)
5.87
ALogP
6
HBA
2
HBD
114.2
PSA (Ų)
0.29
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.25
IC50 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.25 | 5.14 | 5672.0 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 5.04 | 5.04 | 9140.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 4.92 | 4.92 | 12144.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.6 | 4.6 | 25179.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 5672.0 | nM | 5.25 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Cannabinoid receptor 1 | IC50 | = | 9140.0 | nM | 5.04 | PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 1 usin... | - |
| Streptokinase A | EC50 | = | 9401.0 | nM | 5.03 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
| Streptococcus sp. 'group A' | EC50 | = | 12144.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 25179.0 | nM | 4.6 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine