Payload Information

General Information of This Payload
Payload ID
PAY0RYYQU
Name
CN-Pro-dideoxy-alpha-amanitin
Synonyms
CN-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
C40H53N11O11S
Isosmiles
CCC(C)C1NC(=O)CNC(=O)C2Cc3c([nH]c4ccccc34)SCC(NC(=O)CNC1=O)C(=O)NC(CC(N)=O)C(=O)N1CC(C#N)CC1C(=O)NC(C(C)C(O)CO)C(=O)N2
InChI
InChI=1S/C40H53N11O11S/c1-4-18(2)32-37(60)44-13-30(55)45-26-17-63-39-22(21-7-5-6-8-23(21)48-39)10-24(34(57)43-14-31(56)49-32)46-38(61)33(19(3)28(53)16-52)50-36(59)27-9-20(12-41)15-51(27)40(62)25(11-29(42)54)47-35(26)58/h5-8,18-20,24-28,32-33,48,52-53H,4,9-11,13-17H2,1-3H3,(H2,42,54)(H,43,57)(H,44,60)(H,45,55)(H,46,61)(H,47,58)(H,49,56)(H,50,59)
InChIKey
MRPSMROFDHWVGU-UHFFFAOYSA-N
Pharmaceutical Properties
Molecule Weight
895.997
Polar area
347.14
Complexity
63
xlogp Value
-3.86242
Heavy Count
63
Rot Bonds
7
Hbond acc
13
Hbond Donor
11
The activity data of This Payload
Standard Type Value Units Cell line Disease Model Cell line ID Reference
Half Maximal Inhibitory Concentration (IC50) 480±380 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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