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Compound Detail

CHEMBL3322805

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CCCCCNC(=O)NCCCC/C=C\CCCCCCP(=O)([O-])[O-].[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3322805
Phase Preclinical
Structure Type MOL
InChI Key ADNUKVWUKCRMPC-XFUGJFOESA-L
Parent Compound CHEMBL3558236
Active Moiety CHEMBL3558236
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
4.33
ALogP
2
HBA
4
HBD
98.7
PSA (Ų)
0.18
QED
0
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H35N2Na2O4P
MW 420.44
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 0.26

Literature References

PubMed DOI Target Context # Activities
25119815 10.1021/jm500262m NON-PROTEIN TARGET 2
25119815 10.1021/jm500262m Bifunctional epoxide hydrolase 2 1

Data from ChEMBL 36 via Core Engine