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Compound Detail

CHEMBL4166427

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CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4166427
Phase Preclinical
Structure Type MOL
InChI Key LNTLZBSXDZBHJO-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
4.04
ALogP
7
HBA
2
HBD
120.3
PSA (Ų)
0.42
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 C24H24N4O4
MW 432.48
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.73

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
29152046 10.1021/acsmedchemlett.7b00256 Toll-like receptor 8 1
29152046 10.1021/acsmedchemlett.7b00256 Toll-like receptor 7 1

Data from ChEMBL 36 via Core Engine