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Compound Detail

CHEMBL4521106

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COC(C)(C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4521106
Phase Preclinical
Structure Type MOL
InChI Key QIPGCNGAWOUAEB-LTOXSCOASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

416.7
MW (Da)
7.16
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H48O2
MW 416.69
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 2.39

Literature References

PubMed DOI Target Context # Activities
31390523 10.1021/acs.jmedchem.9b00591 Glutamate NMDA receptor; GRIN1/GRIN2B 1
31390523 10.1021/acs.jmedchem.9b00591 Glutamate NMDA receptor; GRIN1/GRIN2A 1

Data from ChEMBL 36 via Core Engine