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Compound Detail

CHEMBL309161

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CCCN(CCC)c1nc2ccc(F)cc2n2c(C(F)(F)F)nnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL309161
Phase Preclinical
Structure Type MOL
InChI Key INDRWHYFEWZDGQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

355.3
MW (Da)
4.06
ALogP
5
HBA
0
HBD
46.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17F4N5
MW 355.34
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.75

Literature References

PubMed DOI Target Context # Activities
2374150 10.1021/jm00170a031 Rattus norvegicus 2
2374150 10.1021/jm00170a031 Phosphodiesterase 1 1

Data from ChEMBL 36 via Core Engine