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Compound Detail

CHEMBL4450870

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COc1ccc(CCNC(=O)c2cccc(C(F)(F)F)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4450870
Phase Preclinical
Structure Type MOL
InChI Key PCFROJDIBIKVFV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

323.3
MW (Da)
3.69
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16F3NO2
MW 323.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.21

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