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

CHEMBL2017879

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(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](Sc5ccccc5)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]2(C)[C@H]1[C@@](C)(O)C(=O)CCC(C)(C)OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2017879
Phase Preclinical
Structure Type MOL
InChI Key XIBKVMGIRKBICN-RKOXUOJOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

694.9
MW (Da)
7.09
ALogP
9
HBA
1
HBD
124.0
PSA (Ų)
0.21
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H54O8S
MW 694.93
Aromatic Rings 1
Heavy Atoms 49
NP-Likeness 2.00

Literature References

PubMed DOI Target Context # Activities
22472043 10.1016/j.bmc.2012.03.001 A549 2

Data from ChEMBL 36 via Core Engine