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Compound Detail

CHEMBL3577166

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CCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3577166
Phase Preclinical
Structure Type MOL
InChI Key JWECPZKJJBLTTR-JZXOWHBKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

455.5
MW (Da)
2.75
ALogP
8
HBA
4
HBD
165.6
PSA (Ų)
0.13
QED
0
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H38NO9P
MW 455.49
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 0.85

Literature References

PubMed DOI Target Context # Activities
25970039 10.1021/jm5020082 Probable G-protein coupled receptor 34 1
25970039 10.1021/jm5020082 Putative P2Y purinoceptor 10 1
25970039 10.1021/jm5020082 Probable G-protein coupled receptor 174 1

Data from ChEMBL 36 via Core Engine