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Compound Detail

CHEMBL5633159

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Cc1cc(Cc2ccc(F)c(C(=O)N3Cc4nnc(-c5ccccn5)n4C(C)C3)c2)n[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5633159
Phase Preclinical
Structure Type MOL
InChI Key DWSWFAKFOWKNCV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

459.5
MW (Da)
2.68
ALogP
7
HBA
1
HBD
109.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22FN7O2
MW 459.49
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.66

Literature References

PubMed DOI Target Context # Activities
37567056 10.1016/j.ejmech.2023.115709 Poly [ADP-ribose] polymerase 1 1

Data from ChEMBL 36 via Core Engine