Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4526526

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CNc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c(=O)[nH]c(N)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4526526
Phase Preclinical
Structure Type MOL
InChI Key LKTMOYWRSHXEPO-XPWFQUROSA-N
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

688.4
MW (Da)
-1.88
ALogP
20
HBA
7
HBD
315.7
PSA (Ų)
0.12
QED
3
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N10O13P2
MW 688.44
Aromatic Rings 4
Heavy Atoms 46
NP-Likeness 0.65

Activity Summary

EC50 7 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Stimulator of interferon genes protein
CHEMBL4523377
 EC50 7.7 6.5483 20.0 6
Unchecked
CHEMBL612545
 EC50 6.16 6.16 700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Stimulator of interferon genes protein EC50 = 20.0 nM 7.7 Activation of recombinant human wild-type STING expressed in 293T cells measured... 31715099
Stimulator of interferon genes protein EC50 = 60.0 nM 7.22 Activation of recombinant human STING haplotype R71H/G230A/R293Q mutant expresse... 31715099
Stimulator of interferon genes protein EC50 = 60.0 nM 7.22 Activation of recombinant human STING haplotype G230A/R293Q mutant expressed in ... 31715099
Stimulator of interferon genes protein EC50 = 94.0 nM 7.03 3H-cGAMP Filtration Binding Assay (HAQ STING): The compounds were serially titra... -
Unchecked EC50 = 700.0 nM 6.16 Activation of recombinant human STING haplotype R232H mutant expressed in 293T c... 31715099
Stimulator of interferon genes protein EC50 = 1200.0 nM 5.92 Activation of recombinant human STING haplotype R293Q mutant expressed in 293T c... 31715099
Stimulator of interferon genes protein EC50 = 63700.0 nM 4.2 Activation of recombinant human wild-type STING expressed in 293T cells incubate... 31715099

Literature References

PubMed DOI Target Context # Activities
31715099 10.1021/acs.jmedchem.9b01062 Stimulator of interferon genes protein 14
31715099 10.1021/acs.jmedchem.9b01062 Unchecked 3
31715099 10.1021/acs.jmedchem.9b01062 Monocyte 1

Data from ChEMBL 36 via Core Engine