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Compound Detail

CHEMBL4534190

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O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4534190
Phase Preclinical
Structure Type MOL
InChI Key MZBUEJZQUQFXRH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
4.63
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21F3N2O
MW 362.40
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.71

Literature References

PubMed DOI Target Context # Activities
31158744 10.1016/j.ejmech.2019.05.026 cGMP-specific 3',5'-cyclic phosphodiesterase 2

Data from ChEMBL 36 via Core Engine