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Compound Detail

CHEMBL4475413

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O=C(NCCc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4475413
Phase Preclinical
Structure Type MOL
InChI Key ICVYGBFSASPDMK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.7
MW (Da)
4.33
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.89
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 C16H13ClF3NO
MW 327.73
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.51

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