Compound Detail
CHEMBL1407
LAUDANOSINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1407 |
| Name | LAUDANOSINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGPAYJZAMGEDIQ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
3.49
ALogP
5
HBA
0
HBD
40.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.52
IC50 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ECa-109 cell line CHEMBL614668 | IC50 | 6.28 | 6.28 | 528.9 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.52 | 4.52 | 30000.0 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ECa-109 cell line | IC50 | = | 528.9 | nM | 6.28 | Reversal of VCR -resistance in human Eca-109 cells assessed as vincristine IC50 ... | 36892076 |
| Unchecked | Ki | = | 30000.0 | nM | 4.52 | Inhibition of apamin-sensitive SK channel | 18436444 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 100000.0 | nM | 4.0 | Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 c... | 29384668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 874964 | 10.1021/jm00217a005 | Mus musculus | 8 |
| 36892076 | 10.1021/acs.jmedchem.2c02061 | ECa-109 cell line | 3 |
| 16483771 | 10.1016/j.bmcl.2006.01.067 | Acetylcholinesterase | 2 |
| 22766217 | 10.1016/j.bmc.2012.06.017 | U-937 | 2 |
| 29384668 | 10.1021/acs.jmedchem.7b01895 | Neuronal acetylcholine receptor; alpha3/beta4 | 2 |
| 29384668 | 10.1021/acs.jmedchem.7b01895 | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 18436444 | 10.1016/j.bmcl.2008.03.069 | Unchecked | 1 |
| 10978214 | 10.1021/np990639k | Staphylococcus aureus | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 29384668 | 10.1021/acs.jmedchem.7b01895 | Neuronal acetylcholine receptor; alpha4/beta4 | 1 |
| 29384668 | 10.1021/acs.jmedchem.7b01895 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 29384668 | 10.1021/acs.jmedchem.7b01895 | Nicotinic acetylcholine receptor alpha-4/beta-2 | 1 |
Data from ChEMBL 36 via Core Engine