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Compound Detail

CHEMBL4596106

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Cc1cc(O)ccc1C(=O)OCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596106
Phase Preclinical
Structure Type MOL
InChI Key LEEBQFUGRZFPSF-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

610.8
MW (Da)
8.93
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.07
QED
2
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H49NO3P+
MW 610.80
Aromatic Rings 4
Heavy Atoms 44
NP-Likeness -0.06

Data from ChEMBL 36 via Core Engine