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Compound Detail

CHEMBL2163562

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CCOP(=O)(OCC)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2163562
Phase Preclinical
Structure Type MOL
InChI Key UDNKBMZDLBECOT-SCFUHWHPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

505.9
MW (Da)
2.65
ALogP
12
HBA
3
HBD
150.1
PSA (Ų)
0.32
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H29ClN5O7P
MW 505.90
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.33

Literature References

PubMed DOI Target Context # Activities
22738238 10.1021/jm3004834 Adenosine receptor A1 1

Data from ChEMBL 36 via Core Engine