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Compound Detail

CHEMBL4435751

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CC(=O)N1CCCCC1c1nc2c(C(N)=O)c(F)ccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4435751
Phase Preclinical
Structure Type MOL
InChI Key LNLNHIKWLHQPOH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.3
MW (Da)
1.87
ALogP
3
HBA
2
HBD
92.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17FN4O2
MW 304.33
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
27353531 10.1016/j.bmcl.2016.06.045 Poly [ADP-ribose] polymerase 1 2

Data from ChEMBL 36 via Core Engine