Compound Detail
CHEMBL1982305
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Cc1ccc(S(=O)(=O)/N=C2\C=C(Nc3cccc(C(=O)O)c3)C(=O)c3ccccc32)cc1
Basic Information
| ChEMBL ID | CHEMBL1982305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMZUKUUYYIHXNG-YYADALCUSA-N |
9
Targets
13
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
4.06
ALogP
5
HBA
2
HBD
112.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.28
EC50 5 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 6.58 | 6.58 | 266.0 | 1 |
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 6.28 | 6.28 | 524.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.11 | 5.59 | 771.2 | 3 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.61 | 4.97 | 2430.0 | 2 |
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 5.5 | 5.5 | 3184.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 5.37 | 5.27 | 4310.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.33 | 5.33 | 4621.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 5.13 | 5.13 | 7320.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.84 | 4.84 | 14297.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine