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Compound Detail

CHEMBL5568468

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C=C(C)C(=O)NC12CCC(c3c(-c4ccc(Oc5nccc(C)n5)c(F)c4)c4c(N)ncnc4n3C)(CC1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5568468
Phase Preclinical
Structure Type MOL
InChI Key AKJILERYVZSPNE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

541.6
MW (Da)
5.28
ALogP
8
HBA
2
HBD
120.8
PSA (Ų)
0.32
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H32FN7O2
MW 541.63
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.63

Literature References

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

Data from ChEMBL 36 via Core Engine