Compound Detail
CHEMBL1866688
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Basic Information
| ChEMBL ID | CHEMBL1866688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKJFCQSUXYLNRY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
454.4
MW (Da)
5.17
ALogP
5
HBA
0
HBD
59.7
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein skinhead-1 CHEMBL2146298 | IC50 | 5.45 | 5.39 | 3570.0 | 2 |
| Heat shock protein hsp-16.2 CHEMBL2146313 | IC50 | 4.3 | 4.3 | 49900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein skinhead-1 | IC50 | = | 3570.0 | nM | 5.45 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
| Protein skinhead-1 | IC50 | = | 4620.0 | nM | 5.33 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
| Heat shock protein hsp-16.2 | IC50 | = | 49900.0 | nM | 4.3 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits via a heat-... | - |
Data from ChEMBL 36 via Core Engine