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

CHEMBL460755

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
C#CCCCO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(CCC(=O)OCC)C(=O)[C@@H]3CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL460755
Phase Preclinical
Structure Type MOL
InChI Key MRWOZXSPTLWVMH-TZRAISAUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
0.48
ALogP
8
HBA
2
HBD
125.7
PSA (Ų)
0.19
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30N2O7
MW 434.49
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
17682098 10.1128/aac.00233-07 Hepatitis C virus 1
17682098 10.1128/aac.00233-07 ADMET 1

Data from ChEMBL 36 via Core Engine