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Compound Detail

CHEMBL4117893

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CCCOc1ccc(CN)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117893
Phase Preclinical
Structure Type MOL
InChI Key BVPLWEHIQIGKSU-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

199.7
MW (Da)
2.59
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H14ClNO
MW 199.68
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.98

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
29759799 10.1016/j.bmc.2018.05.011 Casein kinase II alpha/beta 1

Data from ChEMBL 36 via Core Engine