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Compound Detail

CHEMBL56241

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C=CC[C@@H](CC/C(C)=C/C=C/CCCO)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL56241
Phase Preclinical
Structure Type MOL
InChI Key HUWREOAELWRMFF-KCQUFVDESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

238.4
MW (Da)
3.63
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.36
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H26O2
MW 238.37
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 2.84

Literature References

PubMed DOI Target Context # Activities
11960501 10.1021/jm0105171 A2780 1
11960501 10.1021/jm0105171 Tubulin 1
11960501 10.1021/jm0105171 MCF7 1

Data from ChEMBL 36 via Core Engine