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Compound Detail

CHEMBL4104331

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

Basic Information

ChEMBL ID CHEMBL4104331
Phase Preclinical
Structure Type MOL
InChI Key LNPJVQJSMPETNE-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

360.8
MW (Da)
3.08
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.47
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 C19H21ClN2O3
MW 360.84
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.69

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