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Compound Detail

CHEMBL4086214

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CCOc1ccc(OCC2c3ccc(N4CCOCC4)cc3CCN2C(=O)c2cccc(Cl)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4086214
Phase Preclinical
Structure Type MOL
InChI Key CCPBLUBEOMNCPL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

507.0
MW (Da)
5.39
ALogP
5
HBA
0
HBD
51.2
PSA (Ų)
0.43
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H31ClN2O4
MW 507.03
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.24

Literature References

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

Data from ChEMBL 36 via Core Engine