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Compound Detail

CHEMBL4116487

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

Basic Information

ChEMBL ID CHEMBL4116487
Phase Preclinical
Structure Type MOL
InChI Key UMZYEVQYEQREGL-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

555.7
MW (Da)
7.37
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.09
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H40O4P+
MW 555.68
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness 0.22

Data from ChEMBL 36 via Core Engine