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Compound Detail

CHEMBL5189044

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Nc1cccc2c1CCNC2c1ccccc1

Basic Information

ChEMBL ID CHEMBL5189044
Phase Preclinical
Structure Type MOL
InChI Key SJAZZYOCOXNSIX-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

224.3
MW (Da)
2.50
ALogP
2
HBA
2
HBD
38.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16N2
MW 224.31
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.28

Activity Summary

IC50 1 meas. best 4.72
Kd 1 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucose-induced degradation protein 4 homolog
CHEMBL5169174
Kd 7.77 7.77 17.0 1
Glucose-induced degradation protein 4 homolog
CHEMBL5169174
IC50 4.72 4.72 18900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36117290 10.1021/acs.jmedchem.2c00509 Glucose-induced degradation protein 4 homolog 3

Data from ChEMBL 36 via Core Engine