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Compound Detail

CHEMBL86598

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CC(C)Cn1c(=O)n(C)c(=O)c2[nH]c(-c3ccccc3F)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL86598
Phase Preclinical
Structure Type MOL
InChI Key YEWKGMUVJQOCSE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

316.3
MW (Da)
1.89
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17FN4O2
MW 316.34
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
12182866 10.1016/s0960-894x(02)00480-8 cGMP-specific 3',5'-cyclic phosphodiesterase 1
12182866 10.1016/s0960-894x(02)00480-8 Phosphodiesterase 6 1

Data from ChEMBL 36 via Core Engine