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Compound Detail

CHEMBL220786

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O=S(=O)(c1cc2ccc(O)cc2[nH]1)N1CCC(Cc2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL220786
Phase Preclinical
Structure Type MOL
InChI Key HUBHJLIWBSUNSW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
3.52
ALogP
3
HBA
2
HBD
73.4
PSA (Ų)
0.74
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 C20H22N2O3S
MW 370.47
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
17290978 10.1021/jm060420k Glutamate receptor ionotropic, NMDA 2B 2

Data from ChEMBL 36 via Core Engine