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Compound Detail

CHEMBL2377389

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C[N+](C)(C)CC#CC(O)(c1ccccc1)C1CCCC1.[I-]

Basic Information

ChEMBL ID CHEMBL2377389
Phase Preclinical
Structure Type MOL
InChI Key DEBWGDXDOOBCGZ-UHFFFAOYSA-M
Parent Compound CHEMBL3041174
Active Moiety CHEMBL3041174
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
2.77
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.66
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 C18H26INO
MW 399.32
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.14

Activity Summary

Ki 1 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 5.92 5.92 1200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 1200.0 nM 5.92 Displacement of [3H] N-methylscopolamine from muscarinic acetylcholine receptor ... 23523385

Literature References

PubMed DOI Target Context # Activities
23523385 10.1016/j.bmc.2013.01.072 Unchecked 1

Data from ChEMBL 36 via Core Engine