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Compound Detail

CHEMBL603820

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Nc1nc(N)c2nn(C3O[C@H](CO)[C@@H](O)[C@H]3O)nc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL603820
Phase Preclinical
Structure Type MOL
InChI Key WTCULXXXTDDCLL-BKKZJBRMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

283.2
MW (Da)
-3.00
ALogP
11
HBA
5
HBD
178.4
PSA (Ų)
0.38
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H13N7O4
MW 283.25
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.81

Literature References

PubMed DOI Target Context # Activities
6620307 10.1021/jm00364a023 HEp-2 2
6620307 10.1021/jm00364a023 P388 1

Data from ChEMBL 36 via Core Engine