Compound Detail
CHEMBL4077491
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Basic Information
| ChEMBL ID | CHEMBL4077491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBELHNGFKZMHPL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
215.3
MW (Da)
1.17
ALogP
4
HBA
2
HBD
80.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 T CHEMBL4105763 | Kd | 4.75 | 4.71 | 17700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 T | Kd | = | 17700.0 | nM | 4.75 | Binding affinity to N-terminally 6xHis-Smt3 tagged human Ube2T C86K/K91R/K95R mu... | 28933844 |
| Ubiquitin-conjugating enzyme E2 T | Kd | = | 21300.0 | nM | 4.67 | Binding affinity to N-terminally 6xHis-Smt3 tagged FANCL RING fused human Ube2T ... | 28933844 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28933844 | 10.1021/acs.jmedchem.7b01071 | Ubiquitin-conjugating enzyme E2 T | 9 |
| 28933844 | 10.1021/acs.jmedchem.7b01071 | Ubiquitin-conjugating enzyme E2 E1 | 1 |
Data from ChEMBL 36 via Core Engine