Compound Detail
CHEMBL1312212
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COc1cccc(NS(=O)(=O)c2ccc3c(c2)C2C=CCC2C(c2ccc(C(=O)O)cc2)N3)c1
Basic Information
| ChEMBL ID | CHEMBL1312212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOAFFYNTNJRBTG-UHFFFAOYSA-N |
10
Targets
12
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
5.02
ALogP
5
HBA
3
HBD
104.7
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 5.67
EC50 2 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.67 | 5.345 | 2150.0 | 2 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.63 | 5.175 | 2319.7 | 2 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.1 | 5.1 | 7940.0 | 1 |
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 4.97 | 4.97 | 10700.0 | 1 |
| Phospholipase A2 CHEMBL4426 | IC50 | 4.97 | 4.97 | 10600.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.92 | 4.92 | 11900.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.9 | 4.9 | 12531.0 | 1 |
| Leucine aminopeptidase CHEMBL1293313 | IC50 | 4.8 | 4.8 | 15770.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.75 | 4.75 | 17990.0 | 1 |
| Bcl-2-like protein 1 CHEMBL4625 | IC50 | 4.19 | 4.19 | 64877.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine