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Compound Detail

CHEMBL4228423

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CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(C(F)(F)F)cc4)c12)C(CC#N)CCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4228423
Phase Preclinical
Structure Type MOL
InChI Key OKRMASAVZJNXFM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

464.5
MW (Da)
5.58
ALogP
4
HBA
0
HBD
62.9
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20F4N2O2S
MW 464.48
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
29534798 10.1016/j.bmcl.2018.01.039 cGMP-dependent 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine