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Compound Detail

CHEMBL112872

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O=C(SCCc1ccccc1)c1c(O)nc2cc(Cl)ccc2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL112872
Phase Preclinical
Structure Type MOL
InChI Key KROAZDRGUHLTIF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.8
MW (Da)
4.42
ALogP
5
HBA
2
HBD
70.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14ClNO3S
MW 359.83
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.66

Literature References

PubMed DOI Target Context # Activities
8230129 10.1021/jm00074a020 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine