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

CHEMBL226254

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
CC1(C)CCC[C@]2(C)[C@H]3C[C@@H]4C5C(=O)[C@]3(CC[C@@H]12)[C@H](I)[C@]54C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL226254
Phase Preclinical
Structure Type MOL
InChI Key CCHKZAQBAZDQQK-NLBKGCTLSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

412.4
MW (Da)
5.26
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H29IO
MW 412.36
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 3.22

Activity Summary

IC50 1 meas.

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