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Compound Detail

CHEMBL1307

N-MONODEISOPROPYL DISOPYRAMIDE
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CC(C)NCCC(C(N)=O)(c1ccccc1)c1ccccn1

Basic Information

ChEMBL ID CHEMBL1307
Name N-MONODEISOPROPYL DISOPYRAMIDE
Phase Preclinical
Structure Type MOL
InChI Key UWNSWIXIVDMCHZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

297.4
MW (Da)
2.24
ALogP
3
HBA
2
HBD
68.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23N3O
MW 297.40
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.63

Activity Summary

IC50 1 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cavia porcellus
CHEMBL369
IC50 5.5 5.5 3200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cavia porcellus IC50 = 3200.0 nM 5.5 Inhibitory concentration of guinea pig ileum longitudinal muscle strips to antag... 7241519

Literature References

PubMed DOI Target Context # Activities
7241519 10.1021/jm00137a024 Cavia porcellus 2

Data from ChEMBL 36 via Core Engine