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Compound Detail

CHEMBL443495

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CCCCc1c(C)nn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL443495
Phase Preclinical
Structure Type MOL
InChI Key IHXIAXRXTMYWSM-SCFUHWHPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
0.17
ALogP
11
HBA
4
HBD
157.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H27N7O4
MW 417.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
12270178 10.1016/s0960-894x(02)00609-1 Adenosine receptor A2a 1

Data from ChEMBL 36 via Core Engine