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Compound Detail

CHEMBL4117383

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Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OC(C(=O)Nc3ccccc3)P(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1

Basic Information

ChEMBL ID CHEMBL4117383
Phase Preclinical
Structure Type MOL
InChI Key PMQWINPHOKHFBK-UOTXVPMVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

536.3
MW (Da)
-1.28
ALogP
12
HBA
7
HBD
253.0
PSA (Ų)
0.18
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 C17H22N4O12P2
MW 536.33
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 0.53

Data from ChEMBL 36 via Core Engine