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Compound Detail

CHEMBL5181802

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

Basic Information

ChEMBL ID CHEMBL5181802
Phase Preclinical
Structure Type MOL
InChI Key XUIXYHLPAUINEV-TTYBACRPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

458.6
MW (Da)
7.13
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H45F3O2
MW 458.65
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 1.97

Literature References

PubMed DOI Target Context # Activities
35785990 10.1021/acs.jmedchem.2c00313 Glutamate NMDA receptor; GRIN1/GRIN2A 1
35785990 10.1021/acs.jmedchem.2c00313 Glutamate NMDA receptor; GRIN1/GRIN2B 1

Data from ChEMBL 36 via Core Engine