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

CHEMBL1521485

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
Cc1cc(C)c2[nH]c(O)c(N=NC(S)=NCC3CCCO3)c2c1

Basic Information

ChEMBL ID CHEMBL1521485
Phase Preclinical
Structure Type MOL
InChI Key VEYUZMYYQFYGQK-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
4.04
ALogP
4
HBA
3
HBD
82.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N4O2S
MW 332.43
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.36

Activity Summary

IC50 2 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin-conjugating enzyme E2 N
CHEMBL6089
IC50 6.29 5.64 509.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine