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Compound Detail

CHEMBL4590169

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NC(=O)c1c(F)ccc2[nH]c(C3CCCN(Cc4ccccc4)C3)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4590169
Phase Preclinical
Structure Type MOL
InChI Key IAIGAHAVIQMTKW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
3.18
ALogP
3
HBA
2
HBD
75.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21FN4O
MW 352.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.60

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