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Compound Detail

CHEMBL4458347

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Br.CO[C@H]1CCC2CCN3CCC4=C(CC(=O)OC4)[C@]23C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4458347
Phase Preclinical
Structure Type MOL
InChI Key ZQXZOPIVAOSMEO-WDXUOIDCSA-N
Parent Compound CHEMBL4596279
Active Moiety CHEMBL4596279
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

277.4
MW (Da)
1.89
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H24BrNO3
MW 358.28
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 2.03

Literature References

PubMed DOI Target Context # Activities
31260312 10.1021/acs.jmedchem.9b00248 Potassium channel subfamily K member 9 1

Data from ChEMBL 36 via Core Engine