Compound Detail
CHEMBL3198118
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Basic Information
| ChEMBL ID | CHEMBL3198118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWDCMUIJBXMRLQ-MKMNVTDBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
1.19
ALogP
6
HBA
2
HBD
93.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N CHEMBL6089 | IC50 | 5.78 | 5.75 | 1677.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 1677.0 | nM | 5.78 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 1893.0 | nM | 5.72 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
Data from ChEMBL 36 via Core Engine