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Compound Detail

CHEMBL3921751

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CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OC(=O)CN

Basic Information

ChEMBL ID CHEMBL3921751
Phase Preclinical
Structure Type MOL
InChI Key AMFXKVJFWIICMM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
1.98
ALogP
8
HBA
2
HBD
118.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25N5O3
MW 371.44
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.59

Activity Summary

EC50 2 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Toll-like receptor 7
CHEMBL5936
EC50 7.3 7.3 50.0 1
Toll-like receptor 8
CHEMBL5805
EC50 7.1 7.1 80.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine