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

CHEMBL4861198

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
CCOP(=O)(/C=C/C(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H](O[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)CN1C(=O)OCc1ccccc1)c1ccccc1)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4861198
Phase Preclinical
Structure Type MOL
InChI Key DECQXXGAMSDWET-WSPIMTGWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

930.0
MW (Da)
8.36
ALogP
12
HBA
2
HBD
169.4
PSA (Ų)
0.10
QED
3
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C50H64N3O12P
MW 930.05
Aromatic Rings 3
Heavy Atoms 66
NP-Likeness 1.09

Literature References

PubMed DOI Target Context # Activities
33901900 10.1016/j.ejmech.2021.113454 Cysteine protease falcipain-2 2

Data from ChEMBL 36 via Core Engine