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Compound Detail

CHEMBL5197830

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O=C(Nc1cccc2cccnc12)c1ccc(NC(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5197830
Phase Preclinical
Structure Type MOL
InChI Key RTKFVNRCHVCBLC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

655.7
MW (Da)
5.44
ALogP
6
HBA
3
HBD
140.4
PSA (Ų)
0.22
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H30FN7O4
MW 655.69
Aromatic Rings 6
Heavy Atoms 49
NP-Likeness -1.71

Literature References

PubMed DOI Target Context # Activities
35504210 10.1016/j.ejmech.2022.114417 Poly [ADP-ribose] polymerase 1 2
35504210 10.1016/j.ejmech.2022.114417 Poly [ADP-ribose] polymerase tankyrase-1 2
35504210 10.1016/j.ejmech.2022.114417 Poly [ADP-ribose] polymerase tankyrase-2 2

Data from ChEMBL 36 via Core Engine