Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4455465

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1cc(C)c(CNc2nc(-c3ccc(CN4CCOCC4)cc3)nc3c2ncn3C2CCCCO2)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4455465
Phase Preclinical
Structure Type MOL
InChI Key UWYPLDWJQYHAJX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

529.6
MW (Da)
3.94
ALogP
9
HBA
2
HBD
110.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H35N7O3
MW 529.65
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.21

Literature References

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

Data from ChEMBL 36 via Core Engine