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

CHEMBL3758383

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
COc1cc(NC(=O)Nc2cc(-c3ccccc3)nn2-c2nc(C)cc(=O)[nH]2)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3758383
Phase Preclinical
Structure Type MOL
InChI Key ZEBABPXRKDFXPV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
3.59
ALogP
7
HBA
3
HBD
123.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N6O4
MW 446.47
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.77

Activity Summary

IC50 1 meas. best 4.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SUMO-activating enzyme subunit 1
CHEMBL1615388
 IC50 4.14 4.14 73000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SUMO-activating enzyme subunit 1 IC50 = 73000.0 nM 4.14 Inhibition of recombinant GST-fused SUMO E1 (unknown origin) using RanGAP1 as su... 26810265

Literature References

PubMed DOI Target Context # Activities
26810265 10.1016/j.bmcl.2016.01.030 SUMO-activating enzyme subunit 1 3

Data from ChEMBL 36 via Core Engine