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Compound Detail

CHEMBL4454795

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CN1CCOc2c1cnn1c(C(=O)Nc3ccccc3NCC3CCNCC3)nnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4454795
Phase Preclinical
Structure Type MOL
InChI Key XXNHVCSYSLHQDF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
1.62
ALogP
9
HBA
3
HBD
108.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N8O2
MW 422.49
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.29

Literature References

PubMed DOI Target Context # Activities
30802730 10.1016/j.ejmech.2019.02.022 Serine/threonine-protein kinase pim-1 1

Data from ChEMBL 36 via Core Engine