Compound Detail
CHEMBL1572266
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CS(=O)(=O)O.NC1C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)CC12
Basic Information
| ChEMBL ID | CHEMBL1572266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYNZICQDCVYXFW-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1624529 |
| Active Moiety | CHEMBL1624529 |
7
Targets
19
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
1.89
ALogP
6
HBA
2
HBD
101.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 11 meas. best 6.82
IC50 8 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 6.82 | 6.82 | 151.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 6.66 | 6.66 | 217.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 6.52 | 6.52 | 299.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.46 | 6.1167 | 350.0 | 6 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.97 | 5.97 | 1080.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.07 | 4.7943 | 8578.0 | 7 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 4.96 | 4.96 | 11094.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine