Compound Detail
CHEMBL1427763
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CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1
Basic Information
| ChEMBL ID | CHEMBL1427763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOMJABLLAXJBNQ-FXBPSFAMSA-N |
8
Targets
12
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
5.30
ALogP
9
HBA
1
HBD
96.7
PSA (Ų)
0.26
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 5.52
EC50 1 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N CHEMBL6089 | IC50 | 5.52 | 5.47 | 3016.0 | 2 |
| Bcl-2-related protein A1 CHEMBL1293239 | IC50 | 5.46 | 5.46 | 3440.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 5.41 | 5.4 | 3930.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.38 | 5.38 | 4155.0 | 1 |
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.15 | 5.04 | 7120.0 | 2 |
| Plectin CHEMBL1293240 | IC50 | 4.9 | 4.9 | 12500.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.87 | 4.87 | 13500.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 4.63 | 4.63 | 23200.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.54 | 4.54 | 28700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine