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Compound Detail

CHEMBL5557337

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O=C(NCCN1CCOCC1)c1ccc(-c2ccc3cc4ccccc4cc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5557337
Phase Preclinical
Structure Type MOL
InChI Key UYMTXIGTNYBYHH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
4.72
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N2O2
MW 410.52
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
38367489 10.1016/j.ejmech.2024.116182 Programmed cell death 1 ligand 1 1

Data from ChEMBL 36 via Core Engine