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Compound Detail

CHEMBL98849

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Nc1nc(-c2cn[nH]c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL98849
Phase Preclinical
Structure Type MOL
InChI Key SARCUIHUUGEKRL-HTVVRFAVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.3
MW (Da)
-1.59
ALogP
10
HBA
5
HBD
168.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15N7O4
MW 333.31
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.25

Literature References

PubMed DOI Target Context # Activities
12270178 10.1016/s0960-894x(02)00609-1 Adenosine receptor A2a 2

Data from ChEMBL 36 via Core Engine