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Compound Detail

CHEMBL5803401

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CCCCOc1nc(N)c2nc(O)n(Cc3ccc(Oc4ccc(CNC5CCC5)cc4)nc3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5803401
Phase Preclinical
Structure Type MOL
InChI Key HXZUISIFKJUFSH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

489.6
MW (Da)
4.17
ALogP
10
HBA
3
HBD
133.2
PSA (Ų)
0.27
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31N7O3
MW 489.58
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.01

Activity Summary

EC50 1 meas. best 9.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Toll-like receptor 7
CHEMBL5936
 EC50 9.04 9.04 0.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Toll-like receptor 7 EC50 = 0.91 nM 9.04 TLR7 Agonist Activity Assay: Engineered human embryonic kidney blue cells (HEK-B... -

Data from ChEMBL 36 via Core Engine