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Compound Detail

CHEMBL3262287

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Cn1c2ccccc2c2cc(COc3nccnc3-c3cncnc3)cnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3262287
Phase Preclinical
Structure Type MOL
InChI Key KMQPYGAGQDIQCN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
3.55
ALogP
7
HBA
0
HBD
78.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16N6O
MW 368.40
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
24725435 10.1016/j.bmcl.2014.03.054 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A 2

Data from ChEMBL 36 via Core Engine