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Compound Detail

CHEMBL543676

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

Basic Information

ChEMBL ID CHEMBL543676
Phase Preclinical
Structure Type MOL
InChI Key UARRVFRZQBMCPF-VZYDHVRKSA-N
Parent Compound CHEMBL1192441
Active Moiety CHEMBL1192441
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

422.6
MW (Da)
5.49
ALogP
3
HBA
1
HBD
60.9
PSA (Ų)
0.49
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H35ClN2O3
MW 459.03
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.85

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