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Compound Detail

CHEMBL4117052

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O=C(OCCCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117052
Phase Preclinical
Structure Type MOL
InChI Key PVYQAYINSYVVDS-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

639.8
MW (Da)
9.71
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.05
QED
2
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C41H52O4P+
MW 639.84
Aromatic Rings 4
Heavy Atoms 46
NP-Likeness 0.19

Data from ChEMBL 36 via Core Engine