Compound Detail
CHEMBL1555938
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Basic Information
| ChEMBL ID | CHEMBL1555938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLKSWZRNCAMRQC-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
4.51
ALogP
5
HBA
1
HBD
83.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrolipoyl dehydrogenase CHEMBL3988585 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.37 | 5.33 | 4258.0 | 2 |
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 4.57 | 4.57 | 27118.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrolipoyl dehydrogenase | IC50 | = | 520.0 | nM | 6.28 | Inhibition Assay: The assay was performed in a manner similar to that described ... | - |
| SUMO-activating enzyme | IC50 | = | 3600.0 | nM | 5.44 | Biochemical Assay: Through the Molecular Library Probe Production Center Network... | - |
| Unchecked | IC50 | = | 4258.0 | nM | 5.37 | PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ... | - |
| Unchecked | IC50 | = | 5106.0 | nM | 5.29 | PubChem BioAssay. Counterscreen for inhibitors of Crimean-Congo Hemorrhagic Feve... | - |
| Heat shock protein HSP90 | IC50 | = | 27118.7 | nM | 4.57 | PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a... | - |
Data from ChEMBL 36 via Core Engine