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Compound Detail

CHEMBL3315268

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O=C1NCCN1c1ccc(Nc2nc(-c3cccc(Cl)c3)nc(C3CC3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3315268
Phase Preclinical
Structure Type MOL
InChI Key LLCVVPCDYQLOKE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

406.9
MW (Da)
4.34
ALogP
5
HBA
2
HBD
83.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19ClN6O
MW 406.88
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.94

Literature References

PubMed DOI Target Context # Activities
24998378 10.1016/j.bmcl.2014.06.002 3',5'-cyclic-AMP phosphodiesterase 4B 1
24998378 10.1016/j.bmcl.2014.06.002 3',5'-cyclic-AMP phosphodiesterase 4D 1

Data from ChEMBL 36 via Core Engine