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Compound Detail

CHEMBL5563529

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C=C(C)C(=O)NC12CC(c3c(-c4ccc(Oc5nccc(C)n5)c(F)c4)c4c(N)ncnc4n3C)(C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5563529
Phase Preclinical
Structure Type MOL
InChI Key OSNQKGQRCOQBPP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

499.6
MW (Da)
4.11
ALogP
8
HBA
2
HBD
120.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26FN7O2
MW 499.55
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
38718625 10.1016/j.ejmech.2024.116473 BaF3 3

Data from ChEMBL 36 via Core Engine