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Compound Detail

CHEMBL2323538

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O=C1NCC2c3c(cccc31)CCN2CC(=O)N1CCn2c(nnc2C(F)(F)F)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2323538
Phase Preclinical
Structure Type MOL
InChI Key YQXOWWHJBCAXHI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
0.98
ALogP
6
HBA
1
HBD
83.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19F3N6O2
MW 420.40
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
23473053 10.1021/jm301825t Poly [ADP-ribose] polymerase 1 1

Data from ChEMBL 36 via Core Engine