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Compound Detail

CHEMBL3915625

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CCOCc1nc2c(N)nc3ccccc3c2n1CCOCCN

Basic Information

ChEMBL ID CHEMBL3915625
Phase Preclinical
Structure Type MOL
InChI Key KSUPHFQGJASHRU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
1.68
ALogP
7
HBA
2
HBD
101.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23N5O2
MW 329.40
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.98

Activity Summary

EC50 1 meas. best 4.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Toll-like receptor 8
CHEMBL5805
EC50 4.31 4.31 49000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Toll-like receptor 8 EC50 = 49000.0 nM 4.31 Reporter Assay: For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 ... -

Data from ChEMBL 36 via Core Engine