Compound Detail
CHEMBL401501
(R)-RETICULINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL401501 |
| Name | (R)-RETICULINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHLYRWXGMIUIHG-OAHLLOKOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
2.89
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-15 CHEMBL612263 | IC50 | 4.57 | 4.57 | 26830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-15 | IC50 | = | 26830.0 | nM | 4.57 | Cytotoxicity against human HCT15 cells by SRB assay | 20594848 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17616524 | 10.1074/jbc.m703272200 | Mu-type opioid receptor | 3 |
| - | 10.1007/s00044-008-9122-3 | Acetylcholinesterase | 3 |
| - | 10.1007/s00044-008-9122-3 | Cholinesterase | 2 |
| 20594848 | 10.1016/j.bmcl.2010.06.035 | A549 | 1 |
| 20594848 | 10.1016/j.bmcl.2010.06.035 | SK-OV-3 | 1 |
| 20594848 | 10.1016/j.bmcl.2010.06.035 | SK-MEL-2 | 1 |
| 20594848 | 10.1016/j.bmcl.2010.06.035 | HCT-15 | 1 |
Data from ChEMBL 36 via Core Engine