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Compound Detail

CHEMBL4116633

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Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OC(CN3C(=O)CCC3=O)P(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1

Basic Information

ChEMBL ID CHEMBL4116633
Phase Preclinical
Structure Type MOL
InChI Key QBSRAWZHXBYOIV-MBTYPIGISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

528.3
MW (Da)
-2.77
ALogP
13
HBA
6
HBD
261.3
PSA (Ų)
0.14
QED
3
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H22N4O13P2
MW 528.30
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness 0.80

Data from ChEMBL 36 via Core Engine