Compound Detail
CHEMBL1956313
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(Nc1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1)c1cccc2cccnc12
Basic Information
| ChEMBL ID | CHEMBL1956313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZDVOVJFVJNQJE-LPTDTENNSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
4.02
ALogP
4
HBA
1
HBD
79.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | IC50 | 6.92 | 6.92 | 119.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 3.8 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | IC50 | = | 119.0 | nM | 6.92 | Inhibition of beta-casein-dependent canonical Wnt3 pathway in human HEK293T cell... | 22191557 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22191557 | 10.1021/jm2010223 | Molecular identity unknown | 2 |
| 22191557 | 10.1021/jm2010223 | No relevant target | 1 |
| 22191557 | 10.1021/jm2010223 | H9 | 1 |
Data from ChEMBL 36 via Core Engine