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Compound Detail

CHEMBL4073331

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CCOc1ccc(OCC2c3ccc(OC(C)C)cc3CCN2C(=O)c2ccc(Cl)c(Cl)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4073331
Phase Preclinical
Structure Type MOL
InChI Key YKODOZKFSCRXSD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

514.5
MW (Da)
7.00
ALogP
4
HBA
0
HBD
48.0
PSA (Ų)
0.32
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29Cl2NO4
MW 514.45
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
28586221 10.1021/acs.jmedchem.7b00239 Glutamate NMDA receptor; Grin1/Grin2b 3
28586221 10.1021/acs.jmedchem.7b00239 Glutamate NMDA receptor; Grin1/Grin2c 3
28586221 10.1021/acs.jmedchem.7b00239 Ionotropic glutamate receptor NMDA 1/2D 3

Data from ChEMBL 36 via Core Engine