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Compound Detail

CHEMBL215370

LAUDANOSINE METHIODIDE
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COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)C)cc1OC.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL215370
Name LAUDANOSINE METHIODIDE
Phase Preclinical
Structure Type MOL
InChI Key SANXPMGEBDLSJX-FERBBOLQSA-M
Parent Compound CHEMBL1182154
Active Moiety CHEMBL1182154
4
Targets
9
Activities
3
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

372.5
MW (Da)
3.64
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30INO4
MW 499.39
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 1.04

Activity Summary

Ki 5 meas. best 5.89
IC50 3 meas. best 5.06
Kd 1 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Small conductance calcium-activated potassium channel
CHEMBL2096673
 Ki 5.89 5.86 1295.0 3
Small conductance calcium-activated potassium channel protein 3
CHEMBL3780
 Ki 5.82 5.82 1500.0 1
Unchecked
CHEMBL612545
 Ki 5.8 5.8 1600.0 1
Small conductance calcium-activated potassium channel protein 3
CHEMBL3780
 Kd 5.58 5.58 2600.0 1
Small conductance calcium-activated potassium channel
CHEMBL2096673
 IC50 5.06 4.94 8700.0 2
Rattus norvegicus
CHEMBL376
 IC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Small conductance calcium-activated potassium channel Ki = 1300.0 nM 5.89 Displacement of [125I]apamin from Wistar rat cortical apamin-sensitive site 17125273
Small conductance calcium-activated potassium channel Ki = 1295.0 nM 5.89 Displacement of [125I]apamin from SK channel in Wistar rat cortex 17867663
Small conductance calcium-activated potassium channel protein 3 Ki = 1500.0 nM 5.82 Displacement of [I125]apamine from Wistar rat recombinant SK3 channel expressed ... 18998663
Small conductance calcium-activated potassium channel Ki = 1600.0 nM 5.8 Inhibition of [125I]apamin binding to calcium-activated potassium (SK) channel o... 16033276
Unchecked Ki = 1600.0 nM 5.8 Inhibition of apamin-sensitive SK channel 18436444
Small conductance calcium-activated potassium channel protein 3 Kd = 2600.0 nM 5.58 Inhibition of Wistar rat recombinant SK3 channel expressed in HEK293 cells by wh... 18998663
Small conductance calcium-activated potassium channel IC50 = 8700.0 nM 5.06 Inhibition of [125I]apamin binding to calcium-activated potassium (SK) channel o... 16033276
Rattus norvegicus IC50 = 15000.0 nM 4.82 Blockade of apamin-sensitive AHP in Wistar rat dopaminergic neurons by electroph... 17125273
Small conductance calcium-activated potassium channel IC50 = 15000.0 nM 4.82 Blockade of SK channel in Wistar rat brain assessed as inhibition of apamin-sens... 17867663

Literature References

PubMed DOI Target Context # Activities
16033276 10.1021/jm049025p Small conductance calcium-activated potassium channel 3
17867663 10.1021/jm070412j Small conductance calcium-activated potassium channel 3
18998663 10.1021/jm800809f Small conductance calcium-activated potassium channel protein 3 2
17125273 10.1021/jm0607395 Small conductance calcium-activated potassium channel 1
17125273 10.1021/jm0607395 Rattus norvegicus 1
18436444 10.1016/j.bmcl.2008.03.069 Unchecked 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