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Compound Detail

CHEMBL5424801

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COc1ccc(-c2ccc3c(c2)-n2c(nnc2-c2ccc(N4CCNCC4)c(C(F)(F)F)c2)CC(=O)N3)cn1

Basic Information

ChEMBL ID CHEMBL5424801
Phase Preclinical
Structure Type MOL
InChI Key PTKYEQBTNBDEQV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

535.5
MW (Da)
3.93
ALogP
8
HBA
2
HBD
97.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24F3N7O2
MW 535.53
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.29

Literature References

PubMed DOI Target Context # Activities
37859717 10.1039/d3md00209h No relevant target 4
37859717 10.1039/d3md00209h Serine/threonine-protein kinase RIO2 1
37859717 10.1039/d3md00209h Tyrosine-protein kinase ABL1 1
37859717 10.1039/d3md00209h Proto-oncogene tyrosine-protein kinase receptor Ret 1
37859717 10.1039/d3md00209h Fibroblast growth factor receptor 1 1
37859717 10.1039/d3md00209h Receptor-type tyrosine-protein kinase FLT3 1
37859717 10.1039/d3md00209h Fibroblast growth factor receptor 2 1
37859717 10.1039/d3md00209h U-87 MG 1
37859717 10.1039/d3md00209h MKN-1 1
37859717 10.1039/d3md00209h MOLT-4 1

Data from ChEMBL 36 via Core Engine