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

CHEMBL1407483

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
CC1=C(SCCC#N)S/C(=C2\SC(C)=C(SCCC#N)S2)S1

Basic Information

ChEMBL ID CHEMBL1407483
Phase Preclinical
Structure Type MOL
InChI Key WZGZKOJPIUYGCY-BUHFOSPRSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

402.7
MW (Da)
6.74
ALogP
8
HBA
0
HBD
47.6
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14N2S6
MW 402.68
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness -0.63

Activity Summary

IC50 3 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Estrogen receptor beta
CHEMBL242
IC50 6.89 6.89 129.1 1
Induced myeloid leukemia cell differentiation protein Mcl-1
CHEMBL4361
IC50 5.54 5.54 2891.8 1
Estrogen receptor
CHEMBL206
IC50 5.29 5.29 5104.6 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine