Compound Detail
CHEMBL1365300
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Basic Information
| ChEMBL ID | CHEMBL1365300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLFKSRAHIRSPNB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
2.50
ALogP
6
HBA
1
HBD
81.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase GCN5 CHEMBL4669 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.42 | 5.42 | 3840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase GCN5 | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of yeast GCN5 (99 to 262 residues) expressed in Escherichia coli BL21... | 29665527 |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 3840.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29665527 | 10.1016/j.ejmech.2018.02.005 | Histone acetyltransferase GCN5 | 2 |
Data from ChEMBL 36 via Core Engine