Compound Detail
CHEMBL1301276
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
Basic Information
| ChEMBL ID | CHEMBL1301276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJWGRRVAFROLRL-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1616268 |
| Active Moiety | CHEMBL1616268 |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
245.3
MW (Da)
1.76
ALogP
2
HBA
1
HBD
26.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.49
EC50 1 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 5.49 | 5.49 | 3250.0 | 1 |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.15 | 5.15 | 7033.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 4.86 | 4.86 | 13800.0 | 1 |
| Eukaryotic translation initiation factor 4H CHEMBL1293274 | IC50 | 4.12 | 4.12 | 75100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyadenylate-binding protein 1 | IC50 | = | 3250.0 | nM | 5.49 | PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of... | - |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 7033.0 | nM | 5.15 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 13800.0 | nM | 4.86 | PUBCHEM_BIOASSAY: Dose Response assay for agonists of 5-Hydroxytryptamine (Serot... | - |
| Eukaryotic translation initiation factor 4H | IC50 | = | 75100.0 | nM | 4.12 | PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of... | - |
Data from ChEMBL 36 via Core Engine