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Compound Detail

CHEMBL96166

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CCCCCC(=O)OC(CCCc1ccccc1)CP(=O)(OCCCC)OCCCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL96166
Phase Preclinical
Structure Type MOL
InChI Key VKIWMORBFATFNZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

454.6
MW (Da)
7.33
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.12
QED
1
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H43O5P
MW 454.59
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 0.40

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