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Compound Detail

CHEMBL5434250

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CC(=O)NCCNCc1cnc(OCc2cccc(-c3ccccc3)c2C)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5434250
Phase Preclinical
Structure Type MOL
InChI Key HIAKGDVSSSKNEA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

423.9
MW (Da)
4.52
ALogP
4
HBA
2
HBD
63.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26ClN3O2
MW 423.94
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
38442487 10.1021/acs.jmedchem.3c02342 No relevant target 1
38442487 10.1021/acs.jmedchem.3c02342 Programmed cell death protein 1/Programmed cell death 1 ligand 1 1

Data from ChEMBL 36 via Core Engine