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Compound Detail

CHEMBL426977

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O=C1NCCn2c(-c3ccc(F)cc3)c(I)c3cccc1c32
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL426977
Phase Preclinical
Structure Type MOL
InChI Key VUVAHEXALNFTMY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.2
MW (Da)
3.80
ALogP
2
HBA
1
HBD
34.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12FIN2O
MW 406.20
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
15481984 10.1021/jm030513r Poly [ADP-ribose] polymerase 1 1

Data from ChEMBL 36 via Core Engine