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Compound Detail

CHEMBL54469

METHYLTRIPHENYLPHOSPHONIUM BROMIDE
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C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]

Basic Information

ChEMBL ID CHEMBL54469
Name METHYLTRIPHENYLPHOSPHONIUM BROMIDE
Phase Preclinical
Structure Type MOL
InChI Key LSEFCHWGJNHZNT-UHFFFAOYSA-M
Parent Compound CHEMBL1179021
Active Moiety CHEMBL1179021
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
3.61
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18BrP
MW 357.23
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.01

Activity Summary

IC50 1 meas. best 6.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.05 6.05 891.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 891.25 nM 6.05 Antagonism of carbachol action on nAChR of isolated frog rectus abdominus. 11960498

Literature References

PubMed DOI Target Context # Activities
26042548 10.1021/acs.jnatprod.5b00124 Paracentrotus lividus 4
7401115 10.1021/jm00182a010 Schistosoma mansoni 3
11960498 10.1021/jm011067f Unchecked 1
11960498 10.1021/jm011067f Acetylcholine receptor 1

Data from ChEMBL 36 via Core Engine