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Compound Detail

CHEMBL193292

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C[N+]1(C)[C@H](/C=C/c2ccccc2)CCC[C@@H]1/C=C/c1ccccc1.[I-]

Basic Information

ChEMBL ID CHEMBL193292
Phase Preclinical
Structure Type MOL
InChI Key QCKUBSRAOIGPSY-LBYBYUCNSA-M
Parent Compound CHEMBL1181844
Active Moiety CHEMBL1181844
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

318.5
MW (Da)
5.41
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.66
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28IN
MW 445.39
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.41

Activity Summary

Ki 1 meas. best 4.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL4980
Ki 4.47 4.47 33800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16107155 10.1021/jm0501228 Neuronal acetylcholine receptor; alpha4/beta2 1
16107155 10.1021/jm0501228 Neuronal acetylcholine receptor subunit alpha-7 1
16107155 10.1021/jm0501228 Synaptic vesicular amine transporter 1
16107155 10.1021/jm0501228 Unchecked 1

Data from ChEMBL 36 via Core Engine