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Compound Detail

CHEMBL449346

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Cn1cnc2ncnc(N)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL449346
Phase Preclinical
Structure Type MOL
InChI Key HCGHYQLFMPXSDU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

149.2
MW (Da)
-0.05
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6H7N5
MW 149.16
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -0.04

Literature References

PubMed DOI Target Context # Activities
2165159 10.1021/jm00170a005 Phosphatidylinositol 4-kinase, PI4K 1
19282184 10.1016/j.bmc.2009.02.030 Adenosine receptor A1 1
19282184 10.1016/j.bmc.2009.02.030 Adenosine receptor A2a 1
19282184 10.1016/j.bmc.2009.02.030 Adenosine receptor A2b 1
19282184 10.1016/j.bmc.2009.02.030 Adenosine receptor A3 1
9461659 10.1021/np970358h Perknaster fuscus 1
28933546 10.1021/acs.jmedchem.7b01066 Unchecked 1

Data from ChEMBL 36 via Core Engine