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Compound Detail

CHEMBL5174897

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CCCc1cccc2cc(/C=C\c3cccc(C(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)c3)cnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5174897
Phase Preclinical
Structure Type MOL
InChI Key HGGJDJZDXCZGEL-QXMHVHEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

572.7
MW (Da)
7.38
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H35F3N4O
MW 572.68
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
35305461 10.1016/j.ejmech.2022.114226 Proto-oncogene tyrosine-protein kinase receptor Ret 1

Data from ChEMBL 36 via Core Engine