Compound Detail
CHEMBL1803109
DESMETHYLVERAMILINE 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
C[C@H]([C@@H]1CCCCN1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL1803109 |
| Name | DESMETHYLVERAMILINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYTZAOWKBPBLJL-OSFZIUFISA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
385.6
MW (Da)
5.70
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.60
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sonic hedgehog protein CHEMBL5387 | IC50 | 5.96 | 5.73 | 1100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sonic hedgehog protein | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of SHH pathway in mouse Shh Light2 cells after 40 hrs by Gli-dependen... | 21592788 |
| Sonic hedgehog protein | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of N-terminal SHH activated pathway in mouse C3H10T1/2 cells assessed... | 21592788 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21592788 | 10.1016/j.bmcl.2011.04.103 | Sonic hedgehog protein | 7 |
Data from ChEMBL 36 via Core Engine