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Compound Detail

CHEMBL5187032

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CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCCNC(=O)OC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5187032
Phase Preclinical
Structure Type MOL
InChI Key RCRVSDOUTPXEME-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

497.6
MW (Da)
3.61
ALogP
8
HBA
3
HBD
146.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H35N7O4
MW 497.60
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.85

Activity Summary

EC50 1 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Stimulator of interferon genes protein
CHEMBL4523377
 EC50 5.77 5.77 1689.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Stimulator of interferon genes protein EC50 = 1689.0 nM 5.77 Agonist activity at STING in human wild-type THP1-Dual cells co-expressing ISRE ... 35315650

Literature References

PubMed DOI Target Context # Activities
35315650 10.1021/acs.jmedchem.1c01795 Unchecked 2
35315650 10.1021/acs.jmedchem.1c01795 Stimulator of interferon genes protein 2
35315650 10.1021/acs.jmedchem.1c01795 THP1-Dual 1

Data from ChEMBL 36 via Core Engine