General Information of This Payload
Payload ID
PAY0QFTZO
Name
AU2020291014A1-Payload-3
Synonyms
AU2020291014A1-Payload-3
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Structure
Formula
C29H39N5O4S
Isosmiles
CNCC1=C(S(N2CC(C2)CO)(=O)=O)C=C(C3=CC4=C(C=C(C(N(CCC)CCC)=O)CC(N)=N4)C=C3)C=C1
InChI
InChI=1S/C29H39N5O4S/c1-4-10-33(11-5-2)29(36)25-12-23-8-6-21(13-26(23)32-28(30)15-25)22-7-9-24(16-31-3)27(14-22)39(37,38)34-17-20(18-34)19-35/h6-9,12-14,20,31,35H,4-5,10-11,15-19H2,1-3H3,(H2,30,32)
InChIKey
VCCGBNIYGQWFSP-UHFFFAOYSA-N
Pharmaceutical Properties
Molecule Weight
553.729
Polar area
128.33
Complexity
1328.402298
xlogp Value
3.1102
Heavy Count
39
Rot Bonds
11
Hbond acc
7
Hbond Donor
3
Each Antibody-drug Conjugate Related to This Payload
Full Information of The Activity Data of The ADC(s) Related to This Payload
AU2020291014A1 IC-2 [Investigative]
Revealed Based on the Cell Line Data
Click To Hide/Show 1 Activity Data Related to This Level
Experiment 1 Reporting the Activity Date of This ADC [1]
Efficacy Data Half Maximal Effective Concentration (EC50)
14.8 nM
Method Description
Mycloid TNFa Secretion
In Vitro Model Mycloid Mycloid cells Homo sapiens
References
Ref 1 Aminobenzazepine compounds, immunoconjugates, and uses thereof