Payload Information

General Information of This Payload
Payload ID
PAY0SNRJM
Name
NH2-Pro-dideoxy-alpha-amanitin
Synonyms
NH2-Pro-dideoxy-alpha-amanitin
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Target(s) DNA-directed RNA polymerase II subunit RPB2 (POLR2B); DNA-directed RNA polymerase III subunit RPC7 (POLR3G)
 Target Info 
Structure
Formula
C39H55N11O11S
Isosmiles
CCC(C)C1NC(=O)CNC(=O)C2Cc3c([nH]c4ccccc34)SCC(NC(=O)CNC1=O)C(=O)NC(CC(N)=O)C(=O)N1CC(N)CC1C(=O)NC(C(C)C(O)CO)C(=O)N2
InChI
InChI=1S/C39H55N11O11S/c1-4-17(2)31-36(59)43-12-29(54)44-25-16-62-38-21(20-7-5-6-8-22(20)47-38)10-23(33(56)42-13-30(55)48-31)45-37(60)32(18(3)27(52)15-51)49-35(58)26-9-19(40)14-50(26)39(61)24(11-28(41)53)46-34(25)57/h5-8,17-19,23-27,31-32,47,51-52H,4,9-16,40H2,1-3H3,(H2,41,53)(H,42,56)(H,43,59)(H,44,54)(H,45,60)(H,46,57)(H,48,55)(H,49,58)
InChIKey
ZEISVQHGSPMISE-UHFFFAOYSA-N
Pharmaceutical Properties
Molecule Weight
886.002
Polar area
349.37
Complexity
62
xlogp Value
-4.6749
Heavy Count
62
Rot Bonds
7
Hbond acc
13
Hbond Donor
12
The activity data of This Payload
Standard Type Value Units Cell line Disease Model Cell line ID Reference
Half Maximal Inhibitory Concentration (IC50) 550±90 nM
HeLa cells
Endocervical adenocarcinoma
CVCL_0030 
[1]
Each Antibody-drug Conjugate Related to This Payload
References
Ref 1 Design, Synthesis, and Biochemical Evaluation of Alpha-Amanitin Derivatives Containing Analogs of the trans-Hydroxyproline Residue for Potential Use in Antibody-Drug Conjugates. Chemistry. 2021 Jul 16;27(40):10282-10292.

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