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Compound Detail

CHEMBL3558647

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Nc1nc(SCCc2ccc([N+](=O)[O-])cc2)nc2c1ncn2[C@@H]1O[C@H](COP(O)(O)=S)[C@@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL3558647
Phase Preclinical
Structure Type MOL
InChI Key NQEPQBFGKUSWMJ-LSCFUAHRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

544.5
MW (Da)
0.50
ALogP
13
HBA
5
HBD
212.1
PSA (Ų)
0.08
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N6O8PS2
MW 544.51
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.07

Data from ChEMBL 36 via Core Engine