Compound Detail
CHEMBL1300494
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCOc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CSc4n[nH]c(N)n4)c3C#N)C(C)(C)C2)cc1
Basic Information
| ChEMBL ID | CHEMBL1300494 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYLGLLYWMOMOPQ-AATRIKPKSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
506.7
MW (Da)
5.23
ALogP
8
HBA
3
HBD
129.7
PSA (Ų)
0.36
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ephrin type-A receptor 4 CHEMBL1293259 | IC50 | 5.75 | 5.75 | 1790.0 | 1 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.22 | 4.17 | 60800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ephrin type-A receptor 4 | IC50 | = | 1790.0 | nM | 5.75 | PUBCHEM_BIOASSAY: Colorimetric assay for HTS discovery of chemical inhibitors of... | - |
| Protein skinhead-1 | IC50 | = | 60800.0 | nM | 4.22 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
| Protein skinhead-1 | IC50 | = | 76570.0 | nM | 4.12 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
Data from ChEMBL 36 via Core Engine