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Compound Detail

CHEMBL4298698

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

Basic Information

ChEMBL ID CHEMBL4298698
Phase Preclinical
Structure Type MOL
InChI Key OTIKKVINVWNBOQ-LDJOHHLFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

553.3
MW (Da)
-2.19
ALogP
15
HBA
7
HBD
272.9
PSA (Ų)
0.10
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 C11H18N5O13P3S
MW 553.28
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.94

Data from ChEMBL 36 via Core Engine