Compound Detail
CHEMBL3190880
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CCc1ccc(S(=O)(=O)/N=C2\C=C(Nc3cccc(C(=O)O)c3)C(=O)c3ccccc32)cc1
Basic Information
| ChEMBL ID | CHEMBL3190880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYVRPCQNGCQISY-HPNDGRJYSA-N |
11
Targets
14
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
460.5
MW (Da)
4.32
ALogP
5
HBA
2
HBD
112.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 6.08
EC50 4 meas. best 6.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 6.67 | 6.67 | 216.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.08 | 5.6 | 833.1 | 3 |
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 6.03 | 6.03 | 926.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.9 | 5.9 | 1257.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.77 | 5.77 | 1714.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 5.66 | 5.66 | 2198.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 5.32 | 5.275 | 4780.0 | 2 |
| Serine/threonine-protein phosphatase CHEMBL1293265 | IC50 | 5.16 | 5.16 | 6847.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 5.15 | 5.15 | 7070.0 | 1 |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164 | IC50 | 4.64 | 4.64 | 22658.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine