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Compound Detail

CHEMBL5572531

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CC(C(=O)N1CCN(c2ncc(C#N)cn2)CC1)n1cc2cccc(C(N)=O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5572531
Phase Preclinical
Structure Type MOL
InChI Key YQTFYJGSDVFRTJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.4
MW (Da)
0.71
ALogP
8
HBA
1
HBD
134.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N8O2
MW 404.43
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.58

Literature References

PubMed DOI Target Context # Activities
38059836 10.1021/acs.jmedchem.3c01764 Protein mono-ADP-ribosyltransferase TIPARP 2

Data from ChEMBL 36 via Core Engine