Compound Detail
CHEMBL1396209
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Cc1ccc(C[n+]2c(-c3ccc(C)cc3)cc(-c3ccc(C)cc3)cc2-c2ccc(C)cc2)cc1.[O-][Cl+3]([O-])([O-])[O-]
Basic Information
| ChEMBL ID | CHEMBL1396209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXQAVYUNCRWPBM-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1619364 |
| Active Moiety | CHEMBL1619364 |
7
Targets
25
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
8.26
ALogP
0
HBA
0
HBD
3.9
PSA (Ų)
0.24
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 15 meas. best 6.66
IC50 10 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.66 | 5.7971 | 220.0 | 7 |
| Unchecked CHEMBL612545 | IC50 | 6.54 | 5.1633 | 290.0 | 9 |
| BJ CHEMBL614358 | EC50 | 5.97 | 5.8167 | 1068.0 | 3 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.44 | 5.415 | 3613.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.43 | 5.43 | 3709.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.1 | 5.1 | 7913.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 5.09 | 5.09 | 8200.0 | 1 |
| Exodeoxyribonuclease V CHEMBL2095232 | IC50 | 4.7 | 4.7 | 20120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine