Compound Detail
CHEMBL1493429
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Basic Information
| ChEMBL ID | CHEMBL1493429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJADDFHYLPUPBD-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
245.3
MW (Da)
3.78
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.23
EC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
| Heat shock protein hsp-16.2 CHEMBL2146313 | IC50 | 5.23 | 5.23 | 5910.0 | 1 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 5.04 | 4.915 | 9190.0 | 2 |
| HT-1080 CHEMBL614580 | EC50 | 4.84 | 4.84 | 14600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | EC50 | = | 800.0 | nM | 6.1 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| Heat shock protein hsp-16.2 | IC50 | = | 5910.0 | nM | 5.23 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits via a heat-... | - |
| Protein skinhead-1 | IC50 | = | 9190.0 | nM | 5.04 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
| HT-1080 | EC50 | = | 14600.0 | nM | 4.84 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HT1080 cell... | - |
| Protein skinhead-1 | IC50 | = | 16100.0 | nM | 4.79 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
Data from ChEMBL 36 via Core Engine