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Compound Detail

CHEMBL4208598

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Nc1nc(Cl)nc2c1ncn2[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4208598
Phase Preclinical
Structure Type MOL
InChI Key DSBXPCZHPGLLES-FTWQFJAYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

301.7
MW (Da)
-1.33
ALogP
9
HBA
4
HBD
139.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H12ClN5O4
MW 301.69
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.74

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