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Compound Detail

CHEMBL19750

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CCCOP(=O)(OCCC)OCC1C=CC(n2cc(C)c(=O)[nH]c2=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL19750
Phase Preclinical
Structure Type MOL
InChI Key GAOCQDXSOXDCAW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
2.28
ALogP
8
HBA
1
HBD
108.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25N2O7P
MW 388.36
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.46

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80315-7 C8166 2
- 10.1016/S0960-894X(00)80315-7 Unchecked 1

Data from ChEMBL 36 via Core Engine