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Compound Detail

CHEMBL1223950

FURANDIOL
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CC1(C)C[C@H]2[C@H](O)c3cocc3C[C@](C)(O)[C@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1223950
Name FURANDIOL
Phase Preclinical
Structure Type MOL
InChI Key CJMRDWKLOVHYSM-HTUGSXCWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
2.67
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H22O3
MW 250.34
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 3.00

Literature References

PubMed DOI Target Context # Activities
20719504 10.1016/j.bmcl.2010.07.119 A549 1
20719504 10.1016/j.bmcl.2010.07.119 SK-OV-3 1
20719504 10.1016/j.bmcl.2010.07.119 SK-MEL-2 1
20719504 10.1016/j.bmcl.2010.07.119 HCT-15 1

Data from ChEMBL 36 via Core Engine