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Compound Detail

CHEMBL604438

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CCOc1nc(N)c2nnn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL604438
Phase Preclinical
Structure Type MOL
InChI Key IHCSLXMQJGXRTQ-VTHZCTBJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

312.3
MW (Da)
-2.19
ALogP
11
HBA
4
HBD
161.7
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H16N6O5
MW 312.29
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.12

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