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Compound Detail

CHEMBL369374

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c1ccc(CN2CCC3CN(c4ncnc5oc(-c6ccncc6)nc45)CC32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL369374
Phase Preclinical
Structure Type MOL
InChI Key ZRQSQJJJAAWHOY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
3.39
ALogP
7
HBA
0
HBD
71.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N6O
MW 398.47
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.11

Literature References

PubMed DOI Target Context # Activities
15050645 10.1016/j.bmcl.2004.01.082 Adenosine kinase 1

Data from ChEMBL 36 via Core Engine