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Compound Detail

CHEMBL185952

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O=C1CC2(CCCCC2)C(=O)C1CC(Cl)CCl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL185952
Phase Preclinical
Structure Type MOL
InChI Key YKXRHMZLMAFOKP-UHFFFAOYSA-N

Known Names

NCI-172112
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
1
Known Names

Molecular Properties

277.2
MW (Da)
3.33
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18Cl2O2
MW 277.19
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.75

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15481972 10.1021/jm049934e Cytochrome P450 2D6 1

Data from ChEMBL 36 via Core Engine