Payload Information

General Information of This Payload

Payload ID	PAY0XUVDV
Name	SG2219
Synonyms	SG2219 Click to Show/Hide
Target(s)	Human Deoxyribonucleic acid (hDNA)			Target Info
Structure
Structure	3D MOL		2D MOL
Formula	C35H36N4O6
Isosmiles	C/C=C/C1=CN2C(=O)c3cc(OC)c(OCCCOc4cc5c(cc4OC)C(=O)N4C=C(/C=C/C)CC4C=N5)cc3N=CC2C1
InChI	InChI=1S/C35H36N4O6/c1-5-8-22-12-24-18-36-28-16-32(30(42-3)14-26(28)34(40)38(24)20-22)44-10-7-11-45-33-17-29-27(15-31(33)43-4)35(41)39-21-23(9-6-2)13-25(39)19-37-29/h5-6,8-9,14-21,24-25H,7,10-13H2,1-4H3/b8-5+,9-6+
InChIKey	NFONWZNNBBUPNU-XVYDYJIPSA-N
Pharmaceutical Properties	Molecule Weight	608.695	Polar area	102.26
	Complexity	45	xlogp Value	6.3325
	Heavy Count	45	Rot Bonds	10
	Hbond acc	8	Hbond Donor	0

The activity data of This Payload

Standard Type	Value	Units	Cell line	Disease Model	Cell line ID	Reference
Half Maximal Inhibitory Concentration (IC50)	1	pM	K562 cells	Chronic myeloid leukemia	CVCL_0004	[1]
Half Maximal Inhibitory Concentration (IC50)	121	pM	SK-BR-3 cells	Breast adenocarcinoma	CVCL_0033	[1]
Half Maximal Inhibitory Concentration (IC50)	5	pM	NCI-N87 cells	Gastric tubular adenocarcinoma	CVCL_1603	[1]
Half Maximal Inhibitory Concentration (IC50)	6.4	pM	MDA-MB-468 cells	Breast adenocarcinoma	CVCL_0419	[1]
Half Maximal Inhibitory Concentration (IC50)	641	pM	BT-474 cells	Invasive breast carcinoma	CVCL_0179	[1]

Each Antibody-drug Conjugate Related to This Payload

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

Trastuzumab-SG3227 [Investigative]

ADC Info

Revealed Based on the Cell Line Data

Click To Hide/Show 2 Activity Data Related to This Level

Experiment 1 Reporting the Activity Date of This ADC					[2]
Efficacy Data	Half Maximal Inhibitory Concentration (IC50)	1.48 ng/mL	Low HER2 expression (HER2+)
Method Description	The cytotoxic effect of Trastuzumab-SG3227 was assessed in cell viability assays for a diverse panel of human solid tumor cell lines representing breast and gastric cancers. The potency of Trastuzumab-SG3227 was assessed on the NCI-N87 cell line.
In Vitro Model	Gastric tubular adenocarcinoma	NCI-N87 cells		CVCL_1603
Experiment 2 Reporting the Activity Date of This ADC					[2]
Efficacy Data	Half Maximal Inhibitory Concentration (IC50)	2130.00 ng/mL	Negative expression (HER2-)
Method Description	The cytotoxic effect of Trastuzumab-SG3227 was assessed in cell viability assays for a diverse panel of human solid tumor cell lines representing breast and gastric cancers. The potency of Trastuzumab-SG3227 was assessed on the MDA-MB-468 cell line.
In Vitro Model	Breast adenocarcinoma	MDA-MB-468 cells		CVCL_0419

Engineered HER-SG3227 [Investigative]

ADC Info

Revealed Based on the Cell Line Data

Click To Hide/Show 2 Activity Data Related to This Level

Experiment 1 Reporting the Activity Date of This ADC					[2]
Efficacy Data	Half Maximal Inhibitory Concentration (IC50)	4.29 ng/mL	Low HER2 expression (HER2+)
Method Description	The cytotoxic effect of Engineered Her-SG3227 was assessed in cell viability assays for a diverse panel of human solid tumor cell lines representing breast and gastric cancers. The potency of Engineered Her-SG3227 was assessed on the NCI-N87 cell line.
In Vitro Model	Gastric tubular adenocarcinoma	NCI-N87 cells		CVCL_1603
Experiment 2 Reporting the Activity Date of This ADC					[2]
Efficacy Data	Half Maximal Inhibitory Concentration (IC50)	1220.00 ng/mL	Negative expression (HER2-)
Method Description	The cytotoxic effect of Engineered Her-SG3227 was assessed in cell viability assays for a diverse panel of human solid tumor cell lines representing breast and gastric cancers. The potency of Engineered Her-SG3227 was assessed on the MDA-MB-468 cell line.
In Vitro Model	Breast adenocarcinoma	MDA-MB-468 cells		CVCL_0419

References

Ref 1	Epratuzumab-SN-38: a new antibody-drug conjugate for the therapy of hematologic malignancies. Mol Cancer Ther. 2012 Jan;11(1):224-34.
Ref 2	Synthesis and in vitro evaluation of SG3227, a pyrrolobenzodiazepine dimer antibody-drug conjugate payload based on sibiromycin. Bioorg Med Chem Lett. 2017 Mar 1;27(5):1154-1158.