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Compound Detail

CHEMBL4574816

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NC(=O)c1c(F)ccc2[nH]c(C3CCCN3)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4574816
Phase Preclinical
Structure Type MOL
InChI Key KHAPSTZCIQVQBR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
1.23
ALogP
3
HBA
3
HBD
83.8
PSA (Ų)
0.75
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 C12H13FN4O
MW 248.26
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.92

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