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Compound Detail

CHEMBL5282957

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CNC(=O)c1ccccc1Nc1ncnc2cc(OCCOC)c(OCCOC)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5282957
Phase Preclinical
Structure Type MOL
InChI Key LUGLLGMRSCGGGY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
2.78
ALogP
8
HBA
2
HBD
103.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N4O5
MW 426.47
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
37087886 10.1016/j.bmc.2023.117241 NCI-H1975 1
37087886 10.1016/j.bmc.2023.117241 NCI-H2228 1

Data from ChEMBL 36 via Core Engine