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

CHEMBL351956

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=CC(=O)NCCSCCOC1(C(=O)O)CC(O)C(NC(C)=O)(C(O)C(O)CO)CO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL351956
Phase Preclinical
Structure Type MOL
InChI Key MFEMCLZZYSKRMF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

466.5
MW (Da)
-2.81
ALogP
10
HBA
7
HBD
194.9
PSA (Ų)
0.11
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H30N2O10S
MW 466.51
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 0.38

Activity Summary

Ki 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gallus gallus
CHEMBL613109
 Ki 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Gallus gallus Ki = 200.0 nM 6.7 Tested for inhibition of agglutination of chicken erythrocytes in vitro 8459405

Literature References

PubMed DOI Target Context # Activities
8459405 10.1021/jm00058a016 Gallus gallus 1

Data from ChEMBL 36 via Core Engine