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Compound Detail

CHEMBL445716

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COc1cccc(C(=O)N[C@@H]2[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H]([n+]4ccc(C(N)=O)cc4)[C@H](O)[C@@H]3O)O[C@H]2n2cnc3c(NCc4cccc5ccccc45)ncnc32)c1

Basic Information

ChEMBL ID CHEMBL445716
Phase Preclinical
Structure Type MOL
InChI Key GMAOTGREPAAOFF-CWFIGKTDSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

923.8
MW (Da)
1.57
ALogP
18
HBA
8
HBD
322.4
PSA (Ų)
0.05
QED
3
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H41N8O15P2+
MW 923.75
Aromatic Rings 6
Heavy Atoms 64
NP-Likeness 0.08

Data from ChEMBL 36 via Core Engine