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Compound Detail

CHEMBL28614

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Cc1ccc(/C=C2\CCCCCC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL28614
Phase Preclinical
Structure Type MOL
InChI Key FNGWXRFKXATYSZ-SDNWHVSQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

214.3
MW (Da)
3.91
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18O
MW 214.31
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
10212121 10.1021/jm9806695 P388 2
10212121 10.1021/jm9806695 L1210 2
10212121 10.1021/jm9806695 MOLT-4 2
10212121 10.1021/jm9806695 CCRF-CEM 2
10212121 10.1021/jm9806695 Tumor Cell line 1

Data from ChEMBL 36 via Core Engine