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Compound Detail

CHEMBL5633704

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CC1(C)Cn2nncc2CN1C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5633704
Phase Preclinical
Structure Type MOL
InChI Key SVBJBTVVKBPLDR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
2.68
ALogP
6
HBA
1
HBD
96.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21FN6O2
MW 432.46
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.36

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