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Compound Detail

CHEMBL5287896

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Cc1c(-c2ccccc2)cccc1-c1nc2cc(CNCCO)c(OCc3ccccn3)cc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5287896
Phase Preclinical
Structure Type MOL
InChI Key GEHNLXIJMMXQRC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

465.6
MW (Da)
5.53
ALogP
6
HBA
2
HBD
80.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H27N3O3
MW 465.55
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.00

Literature References

PubMed DOI Target Context # Activities
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