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Compound Detail

CHEMBL5517817

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C(#Cc1c[nH]c2ncc(-c3ccc4c(c3)OCC3COCCN43)cc12)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5517817
Phase Preclinical
Structure Type MOL
InChI Key ONCUSEMGWGCABZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

407.5
MW (Da)
4.23
ALogP
4
HBA
1
HBD
50.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H21N3O2
MW 407.47
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
38377825 10.1016/j.ejmech.2024.116232 AP2-associated protein kinase 1 1

Data from ChEMBL 36 via Core Engine