Compound Detail
CHEMBL1369492
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CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2)s1
Basic Information
| ChEMBL ID | CHEMBL1369492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMLRWXNCJUEBEP-VGOFMYFVSA-N |
12
Targets
14
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
515.7
MW (Da)
4.55
ALogP
7
HBA
3
HBD
113.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 5.8
EC50 5 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 5.8 | 5.8 | 1593.4 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.62 | 5.62 | 2386.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.51 | 5.43 | 3108.0 | 2 |
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 5.22 | 5.22 | 5990.0 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.21 | 5.21 | 6160.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.11 | 5.11 | 7830.0 | 1 |
| Plectin CHEMBL1293240 | IC50 | 5.05 | 4.885 | 8871.0 | 2 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.92 | 4.92 | 12100.0 | 1 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 4.48 | 4.48 | 33400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine