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

CHEMBL5813576

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
COc1cccc(CN(C)CCN(C)CC(=O)N/N=C/c2cccc(O)c2O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5813576
Phase Preclinical
Structure Type MOL
InChI Key NPIVXJNJLVBLCK-LPYMAVHISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
1.62
ALogP
7
HBA
3
HBD
97.6
PSA (Ų)
0.32
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N4O4
MW 400.48
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.39

Activity Summary

EC50 1 meas. best 6.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hypoxia-inducible factor 1-alpha
CHEMBL4261
 EC50 6.09 6.09 820.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hypoxia-inducible factor 1-alpha EC50 = 820.0 nM 6.09 Stabilization of HIF-1alpha: The compounds were formulated with DMSO to form 30 ... -

Data from ChEMBL 36 via Core Engine