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Compound Detail

CHEMBL202705

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Oc1nc2sc(Cl)c(C3CCCCC3)c2c(O)c1-c1cccc(Oc2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL202705
Phase Preclinical
Structure Type MOL
InChI Key FCZVLCJHLGQCPR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

452.0
MW (Da)
7.87
ALogP
5
HBA
2
HBD
62.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22ClNO3S
MW 451.98
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
16451052 10.1021/jm0503493 Glutamate NMDA receptor 1
16451052 10.1021/jm0503493 L cells 1

Data from ChEMBL 36 via Core Engine