Compound Detail
CHEMBL1971601
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Basic Information
| ChEMBL ID | CHEMBL1971601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUIMYCDTISRPNE-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
2.96
ALogP
3
HBA
2
HBD
70.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.88
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 4.88 | 4.88 | 13100.0 | 1 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 13100.0 | nM | 4.88 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits that enhance the survi... | - |
| Protein skinhead-1 | IC50 | = | 100000.0 | nM | 4.0 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
Data from ChEMBL 36 via Core Engine