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Compound Detail

CHEMBL97413

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CCCCOP(=O)(CC(CCc1ccccc1)OC(=O)C(F)(F)F)OCCCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL97413
Phase Preclinical
Structure Type MOL
InChI Key BIDNQFURLMLIIC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

438.4
MW (Da)
5.92
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.20
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30F3O5P
MW 438.42
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 0.17

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80771-X Unchecked 1
- 10.1016/S0960-894X(01)80771-X Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine