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Compound Detail

CHEMBL4575346

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Cc1cc(C)c(CNc2nc(-c3ccc(N4CCOCC4)cc3)nc3c2ncn3C2CCCCO2)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4575346
Phase Preclinical
Structure Type MOL
InChI Key WORIXYRMJNVQND-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

515.6
MW (Da)
3.95
ALogP
9
HBA
2
HBD
110.2
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H33N7O3
MW 515.62
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
31610375 10.1016/j.ejmech.2019.111728 HepG2 1
31610375 10.1016/j.ejmech.2019.111728 A549 1
31610375 10.1016/j.ejmech.2019.111728 HCT-116 1

Data from ChEMBL 36 via Core Engine