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Compound Detail

CHEMBL165358

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CO/N=C(\C)COc1c(-c2ccccc2)c(O)nc2cc(Cl)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL165358
Phase Preclinical
Structure Type MOL
InChI Key CEJQEBNXQLDPJE-WSDLNYQXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

356.8
MW (Da)
4.66
ALogP
5
HBA
1
HBD
63.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17ClN2O3
MW 356.81
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
9057862 10.1021/jm9605492 Glutamate receptor ionotropic, NMDA 1 1
9057862 10.1021/jm9605492 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine