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Compound Detail

CHEMBL4592968

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COc1cc2oc(-c3cccc(-c4ccccc4)c3C)nc2cc1CNCCO

Basic Information

ChEMBL ID CHEMBL4592968
Phase Preclinical
Structure Type MOL
InChI Key VHHDHDGZDVIVEH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
4.56
ALogP
5
HBA
2
HBD
67.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N2O3
MW 388.47
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
30247903 10.1021/acs.jmedchem.8b00990 Programmed cell death protein 1/Programmed cell death 1 ligand 1 1
36126447 10.1016/j.bmc.2022.117001 Programmed cell death protein 1/Programmed cell death 1 ligand 1 1

Data from ChEMBL 36 via Core Engine