Payload Information

General Information of This Payload
Payload ID
PAY0XILUM
Name
ST7612AA1
Synonyms
ST7612AA1; 1428535-92-5; ST-7612AA1; SB17083
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Target(s) Histone deacetylase 1 (HDAC1)
 Target Info 
Structure
Formula
C20H27N3O4S
Isosmiles
CC(=O)SCCCCCC(C(=O)NC1=CC=CC=C1)NC(=O)C2CCC(=O)N2
PubChem CID
78103467
InChI
InChI=1S/C20H27N3O4S/c1-14(24)28-13-7-3-6-10-16(19(26)21-15-8-4-2-5-9-15)23-20(27)17-11-12-18(25)22-17/h2,4-5,8-9,16-17H,3,6-7,10-13H2,1H3,(H,21,26)(H,22,25)(H,23,27)
InChIKey
QGYPCQAYENIOOF-UHFFFAOYSA-N
IUPAC Name
S-[7-anilino-7-oxo-6-[(5-oxopyrrolidine-2-carbonyl)amino]heptyl] ethanethioate
Pharmaceutical Properties
Molecule Weight
405.5
Polar area
130
Complexity
564
xlogp Value
1.8
Heavy Count
28
Rot Bonds
11
Hbond acc
5
Hbond Donor
3
The activity data of This Payload
Standard Type Value Units Cell line Disease Model Cell line ID Reference
Half Maximal Inhibitory Concentration (IC50) 40 nM
P388 cells
Lymphoma
CVCL_7222 
[1]
Each Antibody-drug Conjugate Related to This Payload
References
Ref 1 Synthesis, antiproliferative activity and inhibition of tubulin polymerization by 1,5- and 1,8-disubstituted 10H-anthracen-9-ones bearing a 10-benzylidene or 10-(2-oxo-2-phenylethylidene) moiety. Eur J Med Chem. 2010 Aug;45(8):3420-38. doi: 10.1016/j.ejmech.2010.04.032.

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