Compound Detail
CHEMBL464724
VERATRAMINE Enter ChEMBL ID:
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Cc1c([C@H](C)[C@@H]2NC[C@@H](C)C[C@H]2O)ccc2c1C[C@H]1[C@H]2CC=C2C[C@@H](O)CC[C@@]21C
Basic Information
| ChEMBL ID | CHEMBL464724 |
| Name | VERATRAMINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MALFODICFSIXPO-KFKQDBFTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
409.6
MW (Da)
4.59
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 4.97 | 4.97 | 10780.0 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 4.71 | 4.71 | 19460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 10780.0 | nM | 4.97 | Inhibition of horse BChE by Ellman's method | 23062825 |
| Cholinesterase | IC50 | = | 19460.0 | nM | 4.71 | Inhibition of human BChE by Ellman's method | 23062825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 3 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 2 |
| - | 10.1007/s00044-013-0495-6 | PC-3 | 2 |
| 9461666 | 10.1021/np9703611 | Vero | 1 |
| 20708941 | 10.1016/j.bmc.2010.07.038 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine