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Compound Detail

CHEMBL5419802

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COc1cc(Nc2nc(=O)c(F)cn2Cc2cc(F)c(F)c(F)c2)c(C)c(F)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5419802
Phase Preclinical
Structure Type MOL
InChI Key IBLBSHMBMNGYOU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

441.4
MW (Da)
4.06
ALogP
6
HBA
1
HBD
65.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16F5N3O3
MW 441.36
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
36893624 10.1016/j.ejmech.2023.115234 P2X purinoceptor 7 1

Data from ChEMBL 36 via Core Engine