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

CHEMBL221836

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
CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@H]5[C@H]6O[C@@]5(CCC6(C)C)CC[C@]43C)[C@@]2(C)C(=O)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL221836
Phase Preclinical
Structure Type MOL
InChI Key OATIBLKUQFPDQZ-GQUPYTAZSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.6
MW (Da)
6.30
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H42O3
MW 438.65
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 2.94

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17371067 10.1021/np060436d CCRF-CEM 1

Data from ChEMBL 36 via Core Engine