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Compound Detail

CHEMBL5980725

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CCCCOc1nc(N)c2nc(O)n(Cc3ccc(Oc4ccc(CNN)cc4)cc3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5980725
Phase Preclinical
Structure Type MOL
InChI Key QIKZVZIKDGQIGM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

449.5
MW (Da)
3.10
ALogP
10
HBA
4
HBD
146.4
PSA (Ų)
0.16
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27N7O3
MW 449.52
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.70

Activity Summary

EC50 1 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Toll-like receptor 7
CHEMBL5936
 EC50 8.89 8.89 1.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Toll-like receptor 7 EC50 = 1.3 nM 8.89 TLR7 Agonist Activity Assay: Engineered human embryonic kidney blue cells (HEK-B... -

Data from ChEMBL 36 via Core Engine