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

CHEMBL4532983

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
CCCCCCOC1C=CC(C(=N)N(CCCC)CCCCC)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4532983
Phase Preclinical
Structure Type MOL
InChI Key YHOQPXLZKLAFDN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.6
MW (Da)
7.25
ALogP
2
HBA
1
HBD
36.3
PSA (Ų)
0.16
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H42N2O
MW 398.64
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness -0.03

Activity Summary

IC50 1 meas. best 4.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Eyes absent homolog 2
CHEMBL1293275
 IC50 4.5 4.5 31980.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Eyes absent homolog 2 IC50 = 31980.0 nM 4.5 Inhibition of GST-fused human Eya2 ED (253 to 538 residues) expressed in Escheri... -

Data from ChEMBL 36 via Core Engine