Payload Information

General Information of This Payload
Payload ID
PAY0VZVUD
Name
STING Agonist 6
Synonyms
STING Agonist 6
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Formula
C38H44N12O7
Isosmiles
CC1=NN(C(C(NC2=NC3=C(C(OCCCO)=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
131986569
InChI
InChI=1S/C38H44N12O7/c1-6-49-27(15-21(3)45-49)35(54)43-37-41-25-17-23(33(39)52)19-29(56-5)31(25)47(37)11-8-9-12-48-32-26(18-24(34(40)53)20-30(32)57-14-10-13-51)42-38(48)44-36(55)28-16-22(4)46-50(28)7-2/h8-9,15-20,51H,6-7,10-14H2,1-5H3,(H2,39,52)(H2,40,53)(H,41,43,54)(H,42,44,55)
InChIKey
NWLOFUCMYZWTOK-UHFFFAOYSA-N
Pharmaceutical Properties
Molecule Weight
780.847
Polar area
254.35
Complexity
2471.174496
xlogp Value
3.16424
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 nM
THP1-Dual cells
Childhood acute monocytic leukemia
CVCL_X599 
Each Antibody-drug Conjugate Related to This Payload