Payload Information

General Information of This Payload

Payload ID	PAY0UDTAB
Name	DEAEA duocarmycin
Synonyms	DEAEA duocarmycin Click to Show/Hide
Target(s)	Human Deoxyribonucleic acid (hDNA)			Target Info
Structure
Structure	3D MOL		2D MOL
Formula	C33H29ClN4O7
Isosmiles	CN(C)CCOc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(OC(=O)Oc3ccc([N+](=O)[O-])cc3)c3ccccc43)cc2c1
InChI	InChI=1S/C33H29ClN4O7/c1-36(2)13-14-43-24-11-12-27-20(15-24)16-28(35-27)32(39)37-19-21(18-34)31-26-6-4-3-5-25(26)30(17-29(31)37)45-33(40)44-23-9-7-22(8-10-23)38(41)42/h3-12,15-17,21,35H,13-14,18-19H2,1-2H3
InChIKey	SBKSEQSBUPQZCK-UHFFFAOYSA-N
Pharmaceutical Properties	Molecule Weight	629.069	Polar area	127.24
	Complexity	45	xlogp Value	6.7303
	Heavy Count	45	Rot Bonds	9
	Hbond acc	8	Hbond Donor	1

The activity data of This Payload

Standard Type	Value	Units	Cell line	Disease Model	Cell line ID	Reference
Half Maximal Inhibitory Concentration (IC50)	0.012±0.00050	nM	MDA-MB-468 cells	Breast adenocarcinoma	CVCL_0419	[1]
Half Maximal Inhibitory Concentration (IC50)	0.019±0.0017	nM	MCF-7 cells	Invasive breast carcinoma	CVCL_0031	[1]

Each Antibody-drug Conjugate Related to This Payload

Full Information of The Activity Data of The ADC(s) Related to This Payload

DAB4-DuoDM [Investigative]

ADC Info

Discovered Using Cell Line-derived Xenograft Model

Click To Hide/Show 1 Activity Data Related to This Level

Experiment 1 Reporting the Activity Date of This ADC					[2]
Efficacy Data	Tumor Growth Inhibition value (TGI)	≈ 71.40% (Day 8)	Positive La/SSB expression (La/SSB +++/++)
Method Description	A549 tumor-bearing mice were treated intraperitoneally with 150 mg/kg gemcitabine and 3 mg/kg cisplatin on Day 1. The day after chemotherapy, mice were treated with an intravenous injection of ADC.
In Vivo Model	A549 CDX model
In Vitro Model	Lung adenocarcinoma	A-549 cells		CVCL_0023

References

Ref 1	In Vivo Activation of Duocarmycin-Antibody Conjugates by Near-Infrared Light. ACS Cent Sci. 2017 Apr 26;3(4):329-337.
Ref 2	APOMAB Antibody-Drug Conjugates Targeting Dead Tumor Cells are Effective In Vivo. Mol Cancer Ther. 2019 Feb;18(2):335-345. doi: 10.1158/1535-7163.MCT-18-0842. Epub 2018 Nov 9.