Payload Information

General Information of This Payload
Payload ID
PAY0JQRNG
Name
STING Agonist 4
Synonyms
STING Agonist 4
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Formula
C38H45N13O6
Isosmiles
CC1=NN(C(C(NC2=NC3=C(C(OCCCN)=CC(C(N)=O)=C3)N2C/C=C/CN(C(NC(C4=CC(C)=NN4CC)=O)=N5)C(C5=C6)=C(OC)C=C6C(N)=O)=O)=C1)CC
PubChem CID
132000129
InChI
InChI=1S/C38H45N13O6/c1-6-50-27(15-21(3)46-50)35(54)44-37-42-25-17-23(33(40)52)19-29(56-5)31(25)48(37)12-8-9-13-49-32-26(18-24(34(41)53)20-30(32)57-14-10-11-39)43-38(49)45-36(55)28-16-22(4)47-51(28)7-2/h8-9,15-20H,6-7,10-14,39H2,1-5H3,(H2,40,52)(H2,41,53)(H,42,44,54)(H,43,45,55)
InChIKey
GHYYYXLQUGJICH-UHFFFAOYSA-N
Pharmaceutical Properties
Molecule Weight
779.863
Polar area
260.14
Complexity
2471.174496
xlogp Value
3.13064
Heavy Count
57
Rot Bonds
17
Hbond acc
15
Hbond Donor
5
The activity data of This Payload
Standard Type Value Units Cell line Disease Model Cell line ID Reference
Half Maximal Effective Concentration (EC50) 1.624 nM
THP1-Dual cells
Childhood acute monocytic leukemia
CVCL_X599 
Half Maximal Effective Concentration (EC50) 10 nM
THP1-Dual cells
Childhood acute monocytic leukemia
CVCL_X599 
Each Antibody-drug Conjugate Related to This Payload