Compound Detail
CHEMBL1731180
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Basic Information
| ChEMBL ID | CHEMBL1731180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZPRCHLFLQKHED-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
4.45
ALogP
6
HBA
1
HBD
77.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUMO E1/E2 CHEMBL3137290 | IC50 | 4.52 | 4.52 | 30100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.08 | 4.08 | 82500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SUMO E1/E2 | IC50 | = | 30100.0 | nM | 4.52 | PUBCHEM_BIOASSAY: SAR analysis of SUMOylation using HTRF in an in-Vitro dose res... | - |
| Unchecked | IC50 | = | 82500.0 | nM | 4.08 | PUBCHEM_BIOASSAY: SAR analysis of Ubc13-Ubiquitination selectivity in a TR-FRET ... | - |
Data from ChEMBL 36 via Core Engine