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Compound Detail

CHEMBL5267754

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Cc1c(Nc2nccc3cc(CNCCO)cnc23)cccc1C1=CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5267754
Phase Preclinical
Structure Type MOL
InChI Key LJLVJVZWMANIBX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
4.72
ALogP
5
HBA
3
HBD
70.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28N4O
MW 388.52
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.50

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