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

CHEMBL500809

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=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@]4(O)OC[C@]35[C@H]([C@@H](C)[C@H]4O)[C@@H](OC(=O)C(=O)O[C@H]3C(=O)O[C@@H]4C[C@H]6C(C)=CC(=O)[C@@H](O)[C@]6(C)[C@H]6[C@]7(O)OC[C@]64[C@@H]3[C@@H](C)[C@H]7O)C(=O)O[C@@H]5C[C@@H]12

Basic Information

ChEMBL ID CHEMBL500809
Phase Preclinical
Structure Type MOL
InChI Key CWFIYCIORVREJZ-CYSHPHGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

842.8
MW (Da)
-1.61
ALogP
18
HBA
6
HBD
279.2
PSA (Ų)
0.10
QED
3
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H50O18
MW 842.84
Aromatic Rings 0
Heavy Atoms 60
NP-Likeness 2.10

Data from ChEMBL 36 via Core Engine