Compound Detail
CHEMBL574915
LYCORINE HYDROCHLORIDE Enter ChEMBL ID:
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C[N+]12CCC3=C[C@H](O)[C@@H](O)[C@@H](c4cc5c(cc4C1)OCO5)[C@@H]32.[Cl-]
Basic Information
| ChEMBL ID | CHEMBL574915 |
| Name | LYCORINE HYDROCHLORIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTFMRROFVHAULV-XUPBFBPUSA-M |
| Parent Compound | CHEMBL1197513 |
| Active Moiety | CHEMBL1197513 |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
0.89
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium berghei CHEMBL612653 | IC50 | 5.91 | 5.91 | 1220.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.34 | 5.2 | 4600.0 | 3 |
| B16-F10 CHEMBL612656 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
| SK-MEL-28 CHEMBL614919 | IC50 | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium berghei | IC50 | = | 1220.0 | nM | 5.91 | HARVARD: Inhibition of liver stage Plasmodium berghei infection in HepG2 cells | 22586124 |
| A549 | IC50 | = | 4300.0 | nM | 5.37 | Growth inhibition of proapoptotic stimuli-resistant human A549 cells after 72 hr... | 19788245 |
| NON-PROTEIN TARGET | IC50 | = | 4600.0 | nM | 5.34 | Growth inhibition of proapoptotic stimuli-resistant human OE21 cells after 72 hr... | 19788245 |
| B16-F10 | IC50 | = | 5500.0 | nM | 5.26 | Growth inhibition of proapoptotic stimuli-sensitive mouse B16F10 cells after 72 ... | 19788245 |
| NON-PROTEIN TARGET | IC50 | = | 6500.0 | nM | 5.19 | Growth inhibition of proapoptotic stimuli-sensitive human Hs683 cells after 72 h... | 19788245 |
| SK-MEL-28 | IC50 | = | 8300.0 | nM | 5.08 | Growth inhibition of proapoptotic stimuli-resistant human SK-MEL-28 cells after ... | 19788245 |
| NON-PROTEIN TARGET | IC50 | = | 8600.0 | nM | 5.07 | Growth inhibition of proapoptotic stimuli-resistant human U373 cells after 72 hr... | 19788245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19788245 | 10.1021/jm901031h | NON-PROTEIN TARGET | 3 |
| 19788245 | 10.1021/jm901031h | ADMET | 2 |
| 19788245 | 10.1021/jm901031h | A549 | 1 |
| 19788245 | 10.1021/jm901031h | B16-F10 | 1 |
| 19788245 | 10.1021/jm901031h | SK-MEL-28 | 1 |
| 19788245 | 10.1021/jm901031h | NHDF | 1 |
| 22586124 | 10.1073/pnas.1118370109 | HepG2 | 1 |
| 22586124 | 10.1073/pnas.1118370109 | Plasmodium berghei | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine