Compound Detail
CHEMBL1376371
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Basic Information
| ChEMBL ID | CHEMBL1376371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEYQPEUDXAQAFL-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
3.58
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.64
IC50 2 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N CHEMBL6089 | IC50 | 5.59 | 5.525 | 2551.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.64 | 4.62 | 22996.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 2551.0 | nM | 5.59 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 3501.0 | nM | 5.46 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| Unchecked | EC50 | = | 22996.0 | nM | 4.64 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 25031.0 | nM | 4.6 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
Data from ChEMBL 36 via Core Engine