Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL226104

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C[C@@]1(C(O)CO)CC[C@@H]2C(O)(C1)C(O)C[C@H]1[C@@]2(C)CC[C@H](O)[C@]1(C)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL226104
Phase Preclinical
Structure Type MOL
InChI Key WDRRSJQZCVZNOS-OJEWYNJRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

372.5
MW (Da)
0.42
ALogP
6
HBA
6
HBD
121.4
PSA (Ų)
0.43
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H36O6
MW 372.50
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 3.06

Literature References

PubMed DOI Target Context # Activities
17547457 10.1021/np0603976 Aorta 1
17547457 10.1021/np0603976 HeLa 1

Data from ChEMBL 36 via Core Engine