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Compound Detail

CHEMBL4548602

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C[C@@H](CCC(C)(C)O)[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 CHEMBL4548602
Phase Preclinical
Structure Type MOL
InChI Key GLXBRGHIMATFKV-ACEZCWTCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

402.7
MW (Da)
6.50
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.53
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H46O2
MW 402.66
Aromatic Rings 0
Heavy Atoms 29
NP-Likeness 2.57

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