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Compound Detail

CHEMBL2402521

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CNc1nc(N)nc(NC2(C#N)CCCCC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2402521
Phase Preclinical
Structure Type MOL
InChI Key ACCKZQCZQKWGCC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

247.3
MW (Da)
1.13
ALogP
7
HBA
3
HBD
112.5
PSA (Ų)
0.73
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 C11H17N7
MW 247.31
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
23806553 10.1016/j.bmcl.2013.05.099 Liver microsomes 1
23806553 10.1016/j.bmcl.2013.05.099 High affinity 3',5'-cyclic-AMP phosphodiesterase 7A 1
23806553 10.1016/j.bmcl.2013.05.099 3',5'-cyclic-AMP phosphodiesterase 4A 1

Data from ChEMBL 36 via Core Engine