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Compound Detail

CHEMBL5191816

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CCc1cc2ncc(CN3CC4CC(C3)N4c3ccc(C(=O)NC)nc3)cc2[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5191816
Phase Preclinical
Structure Type MOL
InChI Key MOBQHNSKEVVFJN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
1.70
ALogP
6
HBA
2
HBD
94.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N6O2
MW 418.50
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
36343904 10.1016/j.bmcl.2022.129046 Poly [ADP-ribose] polymerase 1 2
36343904 10.1016/j.bmcl.2022.129046 Poly [ADP-ribose] polymerase 2 2

Data from ChEMBL 36 via Core Engine