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

CHEMBL49239

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(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1CC(O)[C@@H](/C=C/[C@@H](CS(=O)(=O)c1ccc2ccccc2c1)NS(C)(=O)=O)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL49239
Phase Preclinical
Structure Type MOL
InChI Key MRONPHMQIPIYRP-PUWAPVLXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

724.0
MW (Da)
5.10
ALogP
7
HBA
3
HBD
132.9
PSA (Ų)
0.21
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H53N3O6S2
MW 724.00
Aromatic Rings 3
Heavy Atoms 50
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
12699395 10.1021/jm020537i MT2 2

Data from ChEMBL 36 via Core Engine