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Compound Detail

CHEMBL1093741

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CCCCC/C=C\C=C\C(C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1093741
Phase Preclinical
Structure Type MOL
InChI Key MFPAXNPGWGCOHQ-UQGDGPGGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

168.3
MW (Da)
3.06
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H20O
MW 168.28
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 2.50

Literature References

PubMed DOI Target Context # Activities
20176483 10.1016/j.bmcl.2010.01.165 Unchecked 1

Data from ChEMBL 36 via Core Engine