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Compound Detail

CHEMBL4210738

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Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL4210738
Phase Preclinical
Structure Type MOL
InChI Key UNEYPTLKKIQQHG-AUXKDTDASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.7
MW (Da)
-1.97
ALogP
10
HBA
5
HBD
159.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H14ClN5O5
MW 331.72
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.05

Literature References

PubMed DOI Target Context # Activities
29174506 10.1016/j.bmc.2017.11.022 cGMP-dependent 3',5'-cyclic phosphodiesterase 2

Data from ChEMBL 36 via Core Engine