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

CHEMBL5411984

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
O=C(CNCc1ccccc1)N[C@H]1CC[C@@H](c2nc3ccccc3[nH]2)CC1

Basic Information

ChEMBL ID CHEMBL5411984
Phase Preclinical
Structure Type MOL
InChI Key NJJOKGWFZQVSMR-HDICACEKSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.5
MW (Da)
3.50
ALogP
3
HBA
3
HBD
69.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N4O
MW 362.48
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 5.6
Kd 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucose-induced degradation protein 4 homolog
CHEMBL5169174
Kd 6.3 6.3 500.0 1
Glucose-induced degradation protein 4 homolog
CHEMBL5169174
IC50 5.6 5.6 2500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38516600 10.1039/d3md00633f Glucose-induced degradation protein 4 homolog 3

Data from ChEMBL 36 via Core Engine