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Compound Detail

CHEMBL1306807

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OC(CN(c1ccccc1)c1ccccc1)Cn1cnc2ccccc21

Basic Information

ChEMBL ID CHEMBL1306807
Phase Preclinical
Structure Type MOL
InChI Key UADOBENHDRZEKF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
4.24
ALogP
4
HBA
1
HBD
41.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N3O
MW 343.43
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.02

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