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Compound Detail

CHEMBL4531763

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O=C(O)C1CCCN(CCO/N=C/c2sccc2-c2ccc(Cl)cc2Cl)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4531763
Phase Preclinical
Structure Type MOL
InChI Key XOBONJCQRIZKFI-SSDVNMTOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.4
MW (Da)
4.87
ALogP
5
HBA
1
HBD
62.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20Cl2N2O3S
MW 427.35
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.41

Literature References

PubMed DOI Target Context # Activities
30777661 10.1016/j.bmc.2019.02.015 Sodium- and chloride-dependent GABA transporter 1 2

Data from ChEMBL 36 via Core Engine