Compound Detail
CHEMBL1323512
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Basic Information
| ChEMBL ID | CHEMBL1323512 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQVKDUBWMVNFMJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1616549 |
| Active Moiety | CHEMBL1616549 |
11
Targets
13
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
361.2
MW (Da)
3.75
ALogP
6
HBA
2
HBD
101.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 6.82
IC50 6 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.82 | 6.82 | 150.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.37 | 6.37 | 429.0 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 1 CHEMBL1293222 | IC50 | 5.67 | 5.67 | 2150.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 5.58 | 5.58 | 2640.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.48 | 5.48 | 3322.0 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266 | IC50 | 5.45 | 5.45 | 3530.0 | 1 |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.26 | 5.26 | 5457.0 | 1 |
| Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein CHEMBL3885546 | EC50 | 5.24 | 5.24 | 5780.0 | 1 |
| Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein CHEMBL3885546 | IC50 | 5.24 | 5.24 | 5760.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.21 | 5.21 | 6149.0 | 1 |
| Tumor necrosis factor CHEMBL1825 | IC50 | 5.2 | 5.2 | 6280.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.73 | 4.73 | 18809.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.34 | 4.34 | 46151.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine