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Compound Detail

CHEMBL3769408

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CN1[C@@H]2CCC[C@H]1C[C@@H](Nc1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3769408
Phase Preclinical
Structure Type MOL
InChI Key PFOHAZBNBZPLIT-HFSLKKBPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
-0.14
ALogP
10
HBA
4
HBD
128.8
PSA (Ų)
0.55
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 C19H28N6O4
MW 404.47
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.72

Literature References

PubMed DOI Target Context # Activities
26756468 10.1021/acs.jmedchem.5b01402 Adenosine receptor A2a 2
26756468 10.1021/acs.jmedchem.5b01402 Adenosine receptor A1 2
26756468 10.1021/acs.jmedchem.5b01402 Adenosine receptor A2b 2

Data from ChEMBL 36 via Core Engine