Compound Detail
CHEMBL178766
BISARYLMALEIMIDE 2 Enter ChEMBL ID:
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O=C1NC(=O)C(c2cncc3ccoc23)=C1c1cn2c3c(cccc13)CN(C(=O)N1CCOCC1)CC2
Basic Information
| ChEMBL ID | CHEMBL178766 |
| Name | BISARYLMALEIMIDE 2 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBTNLJJWTKVDJI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
497.5
MW (Da)
2.62
ALogP
7
HBA
1
HBD
109.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 CHEMBL2095188 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 | IC50 | = | 0.8 | nM | 9.1 | Inhibitory concentration against the Glycogen synthase kinase-3 | 15686883 |
| Unchecked | IC50 | = | 0.8 | nM | 9.1 | Inhibition of GSK3 | 17399989 |
| Glycogen synthase kinase-3 beta | IC50 | = | 0.7943 | nM | 9.1 | Inhibition of GSK3beta (unknown origin) expressed in Sf9 cells using GS1 as subs... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15686883 | 10.1016/j.bmcl.2004.12.063 | Unchecked | 2 |
| 15686883 | 10.1016/j.bmcl.2004.12.063 | Glycogen synthase kinase-3 | 1 |
| 17399989 | 10.1016/j.bmc.2007.03.048 | Unchecked | 1 |
| - | 10.1007/s00044-007-9086-8 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine