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Compound Detail

CHEMBL538530

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Cl.O=C(O)[C@@H]1CCCN(CCCOCCCN(c2ccccc2)c2ccccc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL538530
Phase Preclinical
Structure Type MOL
InChI Key GJQXJYPFNIDLIW-ZMBIFBSDSA-N
Parent Compound CHEMBL1189341
Active Moiety CHEMBL1189341
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
4.42
ALogP
4
HBA
1
HBD
53.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H33ClN2O3
MW 432.99
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
10543872 10.1021/jm980492e Sodium- and chloride-dependent GABA transporter 1 1

Data from ChEMBL 36 via Core Engine