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Compound Detail

CHEMBL163647

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COc1c(-c2ccccc2)c(O)nc2cc(Cl)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL163647
Phase Preclinical
Structure Type MOL
InChI Key WQBMZUUTMWCXCL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

285.7
MW (Da)
4.27
ALogP
3
HBA
1
HBD
42.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12ClNO2
MW 285.73
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.42

Literature References

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

Data from ChEMBL 36 via Core Engine