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

CHEMBL200873

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
CCNC(=O)C(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](NC(=O)CCCCC1CCSS1)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL200873
Phase Preclinical
Structure Type MOL
InChI Key MIMJKPZAPCGDCW-ZXNYFWILSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

521.8
MW (Da)
3.66
ALogP
6
HBA
3
HBD
104.4
PSA (Ų)
0.18
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H39N3O4S2
MW 521.75
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness -0.03

Literature References

PubMed DOI Target Context # Activities
16185867 10.1016/j.bmcl.2005.08.064 Calpain-1 catalytic subunit 1
16185867 10.1016/j.bmcl.2005.08.064 Unchecked 1

Data from ChEMBL 36 via Core Engine