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

CHEMBL1077404

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
NCCCC[C@H](NC(=O)[C@H](CS)NC(=O)CS)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1077404
Phase Preclinical
Structure Type MOL
InChI Key DJTRTNUOLIFYSK-YUMQZZPRSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.5
MW (Da)
-1.57
ALogP
6
HBA
6
HBD
127.3
PSA (Ų)
0.21
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H22N4O3S2
MW 322.46
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 0.23

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
19773163 10.1016/j.bmcl.2009.08.099 Elastase 1

Data from ChEMBL 36 via Core Engine