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Compound Detail

CHEMBL5863716

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OC(COc1ccccc1)Cn1cnc2ccccc21

Basic Information

ChEMBL ID CHEMBL5863716
Phase Preclinical
Structure Type MOL
InChI Key HWSXCHYFMKGMCF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
2.48
ALogP
4
HBA
1
HBD
47.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N2O2
MW 268.32
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.28

Activity Summary

Kd 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Advanced glycosylation end product-specific receptor
CHEMBL2176846
Kd 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine