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Compound Detail

CHEMBL5414824

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O=C(CNCc1ccccc1)NCc1ccccc1

Basic Information

ChEMBL ID CHEMBL5414824
Phase Preclinical
Structure Type MOL
InChI Key WHPBAOBBWAFHRE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
2.09
ALogP
2
HBA
2
HBD
41.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N2O
MW 254.33
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.14

Activity Summary

Kd 1 meas. best 5.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucose-induced degradation protein 4 homolog
CHEMBL5169174
Kd 5.05 5.05 9000.0 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 2

Data from ChEMBL 36 via Core Engine