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Compound Detail

CHEMBL5961499

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CCCCOc1nc(N)c2nc(O)n(Cc3ccc(Nc4ccc(CNCCOC)cc4)nc3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5961499
Phase Preclinical
Structure Type MOL
InChI Key LCSUUUNKIYKBJH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

492.6
MW (Da)
3.22
ALogP
11
HBA
4
HBD
145.3
PSA (Ų)
0.21
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32N8O3
MW 492.58
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.12

Activity Summary

EC50 1 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Toll-like receptor 7
CHEMBL5936
 EC50 8.92 8.92 1.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Toll-like receptor 7 EC50 = 1.19 nM 8.92 TLR7 Agonist Activity Assay: Engineered human embryonic kidney blue cells (HEK-B... -

Data from ChEMBL 36 via Core Engine