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Compound Detail

CHEMBL4116366

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O=C(NO)c1ccc(OCCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116366
Phase Preclinical
Structure Type MOL
InChI Key PJOWPCGAKZDDBQ-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

598.7
MW (Da)
7.79
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.05
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H45NO4P+
MW 598.74
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness -0.08

Data from ChEMBL 36 via Core Engine