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Compound Detail

CHEMBL3604555

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C[n+]1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c2nc(N)nc([O-])c21

Basic Information

ChEMBL ID CHEMBL3604555
Phase Preclinical
Structure Type MOL
InChI Key KGQLLWOBQZCYNV-IOSLPCCCSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

535.2
MW (Da)
-3.01
ALogP
13
HBA
7
HBD
283.9
PSA (Ų)
0.13
QED
3
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H20N5O13P3
MW 535.24
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 1.01

Pharmacokinetic Data

Parameter Value Units Species
Ka 19.5 /uM Homo sapiens

Literature References

PubMed DOI Target Context # Activities
26264844 10.1016/j.bmc.2015.07.052 Eukaryotic translation initiation factor 4E 3
26264844 10.1016/j.bmc.2015.07.052 m7GpppX diphosphatase 1

Data from ChEMBL 36 via Core Engine