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Compound Detail

CHEMBL3262301

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Cn1c2ccccc2c2cc(CCCOc3ncccc3N3CCOCC3)cnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3262301
Phase Preclinical
Structure Type MOL
InChI Key MMUXDRILFPFIEB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
3.97
ALogP
6
HBA
0
HBD
52.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N4O2
MW 402.50
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.19

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