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Compound Detail

CHEMBL4752691

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CCCCC[C@H](O)[C@H](O)/C=C/C=C/C=C\C=C\[C@@H](O)C/C=C\CCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4752691
Phase Preclinical
Structure Type MOL
InChI Key NHEQLDHOIDACCJ-YPOUZGMCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
3.69
ALogP
4
HBA
4
HBD
98.0
PSA (Ų)
0.20
QED
0
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H34O5
MW 378.51
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 2.07

Literature References

PubMed DOI Target Context # Activities
33062188 10.1021/acsmedchemlett.0c00208 N-arachidonyl glycine receptor 4
33062188 10.1021/acsmedchemlett.0c00208 G-protein coupled receptor 55 4

Data from ChEMBL 36 via Core Engine