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

CHEMBL461100

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
COc1cc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3F)cs2)cnc1N1CCC(C(=O)O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL461100
Phase Preclinical
Structure Type MOL
InChI Key URXNVLWKITVWBV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

524.5
MW (Da)
4.92
ALogP
7
HBA
2
HBD
104.7
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20F4N4O4S
MW 524.50
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
19186055 10.1016/j.bmcl.2009.01.032 Thrombopoietin receptor 1
19186055 10.1016/j.bmcl.2009.01.032 No relevant target 1

Data from ChEMBL 36 via Core Engine