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Compound Detail

CHEMBL4637826

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Cc1c(-c2ccccc2)cccc1-c1nc2cc(CNCCO)ccc2o1

Basic Information

ChEMBL ID CHEMBL4637826
Phase Preclinical
Structure Type MOL
InChI Key ZNOWLLPAHTWELC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
4.55
ALogP
4
HBA
2
HBD
58.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N2O2
MW 358.44
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
30384043 10.1016/j.ejmech.2018.10.044 Programmed cell death 1 ligand 1 1
33517226 10.1016/j.bmc.2021.116038 Programmed cell death protein 1/Programmed cell death 1 ligand 1 1
33454550 10.1016/j.ejmech.2021.113170 Programmed cell death protein 1/Programmed cell death 1 ligand 1 1
34839997 10.1016/j.ejmech.2021.113998 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
31761384 10.1016/j.ejmech.2019.111876 Programmed cell death protein 1/Programmed cell death 1 ligand 1 1

Data from ChEMBL 36 via Core Engine