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Compound Detail

CHEMBL5275302

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Cc1c(Nc2nccc3cc(CNCCO)cnc23)cccc1-c1ccc2c(c1)OCCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5275302
Phase Preclinical
Structure Type MOL
InChI Key GUGNANUJHMZYRO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
4.20
ALogP
7
HBA
3
HBD
88.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26N4O3
MW 442.52
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.60

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