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Compound Detail

CHEMBL94985

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CCCCOP(=O)(CC(CCc1ccccc1)OC(=O)C1CC1)OCCCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL94985
Phase Preclinical
Structure Type MOL
InChI Key ZMXYFZKTPNCSCW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
5.77
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.21
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H35O5P
MW 410.49
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 0.34

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