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Compound Detail

CHEMBL4088836

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

Basic Information

ChEMBL ID CHEMBL4088836
Phase Preclinical
Structure Type MOL
InChI Key UEFJXPQRQDTMJG-UHFFFAOYSA-N
Parent Compound CHEMBL4117028
Active Moiety CHEMBL4117028
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.9
MW (Da)
3.17
ALogP
4
HBA
2
HBD
67.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24Cl2N2O3
MW 411.33
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.79

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
28495381 10.1016/j.bmc.2017.04.037 Casein kinase II subunit alpha 2

Data from ChEMBL 36 via Core Engine