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Compound Detail

CHEMBL4115984

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O=C(CC(=O)Nc1cccc(C(=O)O)c1)NCCCNCc1ccc(-c2ccccc2)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4115984
Phase Preclinical
Structure Type MOL
InChI Key SLEBNFGMRDINFV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

480.0
MW (Da)
4.33
ALogP
4
HBA
4
HBD
107.5
PSA (Ų)
0.24
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26ClN3O4
MW 479.96
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
33119282 10.1021/acs.jmedchem.0c01173 Casein kinase II subunit alpha 1

Data from ChEMBL 36 via Core Engine