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Compound Detail

CHEMBL4065025

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NC(=O)c1cccc(N2C(=O)CC(N3CCN(c4ccccc4F)CC3)C2=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4065025
Phase Preclinical
Structure Type MOL
InChI Key HKVVLACIWVLIAI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
1.38
ALogP
5
HBA
1
HBD
87.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21FN4O3
MW 396.42
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.66

Literature References

PubMed DOI Target Context # Activities
28495083 10.1016/j.bmcl.2017.04.089 Protein mono-ADP-ribosyltransferase PARP14 1

Data from ChEMBL 36 via Core Engine