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

CHEMBL2316741

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[C@H](NC(=O)[C@@H](NC(=O)OCC(C)(C)C)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2316741
Phase Preclinical
Structure Type BOTH
InChI Key GNMWOTPSZTYKTN-MUGJNUQGSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

565.7
MW (Da)
2.66
ALogP
8
HBA
4
HBD
155.6
PSA (Ų)
0.27
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H43N5O6S
MW 565.74
Aromatic Rings 1
Heavy Atoms 39
NP-Likeness -0.14

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
23245752 10.1016/j.bmc.2012.11.017 Unchecked 2

Data from ChEMBL 36 via Core Engine