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

CHEMBL27801

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
COc1ccc([C@H](O)COCCOC[C@H](O)C#CCCCCCCC[C@@H]2CC(CC(C)=O)C(=O)O2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL27801
Phase Preclinical
Structure Type MOL
InChI Key BRWCRLFLDKGVQN-CQYPBCBFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

518.6
MW (Da)
3.77
ALogP
8
HBA
2
HBD
111.5
PSA (Ų)
0.17
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H42O8
MW 518.65
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness 1.15

Literature References

PubMed DOI Target Context # Activities
10890167 10.1016/s0960-894x(00)00236-5 L1210 1

Data from ChEMBL 36 via Core Engine