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Compound Detail

CHEMBL6008871

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OC(Cn1ccnc1)Cn1c2ccccc2c2ccccc21

Basic Information

ChEMBL ID CHEMBL6008871
Phase Preclinical
Structure Type MOL
InChI Key JCSJBPZDDUXRBC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
3.05
ALogP
4
HBA
1
HBD
43.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N3O
MW 291.35
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -0.91

Activity Summary

Kd 1 meas. best 7.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Advanced glycosylation end product-specific receptor
CHEMBL2176846
Kd 7.12 7.12 75.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine