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Compound Detail

CHEMBL544583

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COc1cccc(OC)c1OC(=O)[C@@H](C)N1CCOCC1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL544583
Phase Preclinical
Structure Type MOL
InChI Key WOMVMPNQSSOFPY-RFVHGSKJSA-N
Parent Compound CHEMBL1193215
Active Moiety CHEMBL1193215
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

295.3
MW (Da)
1.33
ALogP
6
HBA
0
HBD
57.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H22ClNO5
MW 331.80
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.80

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11606122 10.1021/jm010903i Mus musculus 1
11606122 10.1021/jm010903i GABA-A receptor; anion channel 1
11606122 10.1021/jm010903i GABA-A receptor; alpha-1/beta-3/gamma-2 1

Data from ChEMBL 36 via Core Engine