Payload Information

General Information of This Payload
Payload ID
PAY0WDOXA
Name
Exatecan-carbamate (aminoethyl)
Synonyms
compound 58
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Target DNA topoisomerase I (TOP1)
 Target Info 
Structure
Formula
C27H29FN4O7
Isosmiles
NCCNC(OCCOC1=C(F)C=C2N=C3C(CN4C(C(COC([C@@]5(CC)O)=O)=C5C=C43)=O)=C(CC)C2=C1)=O
InChI
InChI=1S/C27H29FN4O7/c1-3-14-15-9-22(37-7-8-38-26(35)30-6-5-29)19(28)11-20(15)31-23-16(14)12-32-21(23)10-18-17(24(32)33)13-39-25(34)27(18,36)4-2/h9-11,36H,3-8,12-13,29H2,1-2H3,(H,30,35)/t27-/m0/s1
InChIKey
GRZYXEIOICASOF-MHZLTWQESA-N
Pharmaceutical Properties
Molecule Weight
540.548
Polar area
155
Complexity
1503.751089
xlogp Value
1.8448
Heavy Count
39
Rot Bonds
8
Hbond acc
10
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
wO2024239281A1 C060 [Investigative]
 ADC Info 
Revealed Based on the Cell Line Data
Click To Hide/Show 3 Activity Data Related to This Level
Experiment 1 Reporting the Activity Date of This ADC [1]
Efficacy Data Half Maximal inhibitory Concentration (lC50)
8.15 nM
High Steap1 and PSMA expression (Steapl and PSMA +++)
Method Description
C4-2B is both Steap1 and PSMA antigen high express cells.To run the assay,the cells (180 ul,6000cells)were added to each well in a 96-well plate and incubated for 24 hours at 37°C with 5%CO 2. Next,the cells were treated with test compounds (20ul)at various concentrations in appropriate cell culture medium (total volume,0.2 mL).The control wells contain cells and the medium but lack the test compounds.The plates were incubated for 120 hours at 37°C with 5%CO 2.MTT (5 mg/mL)was then added to the wells (20ul)and the plates were incubated for 1.5 hr at 37°C.The medium was carefully removed and DMSO (180ul)was added afterward.After it was shaken for 15min, the absorbance was measured at 490 nm and 570 nm with a reference filter of 620 nm.The inhibition% was calculated according to the following equation:inhibition%=[1- (assay-blank)/ (control-blank)]× 100.

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In Vitro Model Prostate carcinoma C4-2B cells CVCL_4784
Experiment 2 Reporting the Activity Date of This ADC [1]
Efficacy Data Half Maximal inhibitory Concentration (lC50)
12.08 nM
High Steap1 and PSMA expression (Steapl and PSMA +++)
Method Description
PC-3-4H7 cell is both Steap1and PSMA antigen high express cells. To run the assay,the cells (180 ul,6000cells)were added to each well in a 96-well plate and incubated for 24 hours at 37°C with 5%CO 2. Next,the cells were treated with test compounds (20ul)at various concentrations in appropriate cell culture medium (total volume,0.2 mL).The control wells contain cells and the medium but lack the test compounds.The plates were incubated for 120 hours at 37°C with 5%CO 2.MTT (5 mg/mL)was then added to the wells (20ul)and the plates were incubated for 1.5 hr at 37°C.The medium was carefully removed and DMSO (180ul)was added afterward.After it was shaken for 15min, the absorbance was measured at 490 nm and 570 nm with a reference filter of 620 nm.The inhibition% was calculated according to the following equation:inhibition%=[1- (assay-blank)/ (control-blank)]× 100.

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In Vitro Model Prostate carcinoma PC-3-4H7 cells Homo sapiens
Experiment 3 Reporting the Activity Date of This ADC [1]
Efficacy Data Half Maximal inhibitory Concentration (lC50)
336.5 nM
Low Steap1 and PSMA expression (Steap1 and PSMA+)
Method Description
22RV1 is both Steapl and PSMA antigen low express cells.To run the assay,the cells (180 ul,6000cells)were added to each well in a 96-well plate and incubated for 24 hours at 37°C with 5%CO 2. Next,the cells were treated with test compounds (20ul)at various concentrations in appropriate cell culture medium (total volume,0.2 mL).The control wells contain cells and the medium but lack the test compounds.The plates were incubated for 120 hours at 37°C with 5%CO 2.MTT (5 mg/mL)was then added to the wells (20ul)and the plates were incubated for 1.5 hr at 37°C.The medium was carefully removed and DMSO (180ul)was added afterward.After it was shaken for 15min, the absorbance was measured at 490 nm and 570 nm with a reference filter of 620 nm.The inhibition% was calculated according to the following equation:inhibition%=[1- (assay-blank)/ (control-blank)]× 100.

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In Vitro Model Prostate carcinoma 22RV1 cells CVCL_1045
References
Ref 1 Targeted treatment of prostate cancers and other tumors by an antibody-drug conjugate