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Compound Detail

CHEMBL2322616

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O=C(CN1CCc2cccc3c2C1CNC3=O)N[C@H](Cc1ccccc1)C(=O)N1CC=C(c2ccc(F)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2322616
Phase Preclinical
Structure Type MOL
InChI Key ITFKXJTWHCODGA-FICMROCWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

552.6
MW (Da)
3.51
ALogP
4
HBA
2
HBD
81.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H33FN4O3
MW 552.65
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -0.60

Literature References

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

Data from ChEMBL 36 via Core Engine