Payload Information

General Information of This Payload

Payload ID	PAY0LJSJI
Name	Kinesin spindle protein (KSP) inhibitor 3a
Synonyms	KSP inhibitor 3a Click to Show/Hide
Target(s)	Kinesin-like protein KIF11 (KIF11)			Target Info
Formula	C28H34F2N4O3
Isosmiles	CC(C)(C)[C@H](c1cc(-c2cc(F)ccc2F)cn1Cc1ccccc1)N(CC[C@H](N)C(N)=O)C(=O)CO
InChI	InChI=1S/C28H34F2N4O3/c1-28(2,3)26(34(25(36)17-35)12-11-23(31)27(32)37)24-13-19(21-14-20(29)9-10-22(21)30)16-33(24)15-18-7-5-4-6-8-18/h4-10,13-14,16,23,26,35H,11-12,15,17,31H2,1-3H3,(H2,32,37)/t23-,26-/m0/s1
Pharmaceutical Properties	Molecule Weight	512.601	Polar area	114.58
	Complexity	37	xlogp Value	3.5924
	Heavy Count	37	Rot Bonds	10
	Hbond acc	5	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

TWEAKR ADC 3a [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 (IC50)	0.10 nM	Positive TNFRSF12A expression (TNFRSF12A +++/++)
Method Description	Cytotoxicity of ADCs, SMOL KSP inhibitors, and payload metabolite were determined in TWEAKR-positive cancer cell lines 72 h after treatment with the Promega CellTiter Glo (CTG) cell viability assay according to manufacturers instructions.
In Vitro Model	Colon adenocarcinoma	LoVo cells		CVCL_0399
Experiment 2 Reporting the Activity Date of This ADC					[1]
Efficacy Data	Half Maximal Inhibitory Concentration (IC50)	0.30 nM	Positive TNFRSF12A expression (TNFRSF12A +++/++)
Method Description	Cytotoxicity of ADCs, SMOL KSP inhibitors, and payload metabolite were determined in TWEAKR-positive cancer cell lines 72 h after treatment with the Promega CellTiter Glo (CTG) cell viability assay according to manufacturers instructions.
In Vitro Model	Lung mucoepidermoid carcinoma	NCI-H292 cells		CVCL_0455
Experiment 3 Reporting the Activity Date of This ADC					[1]
Efficacy Data	Half Maximal Inhibitory Concentration (IC50)	0.90 nM	Positive TNFRSF12A expression (TNFRSF12A +++/++)
Method Description	Cytotoxicity of ADCs, SMOL KSP inhibitors, and payload metabolite were determined in TWEAKR-positive cancer cell lines 72 h after treatment with the Promega CellTiter Glo (CTG) cell viability assay according to manufacturers instructions.
In Vitro Model	Pancreatic ductal adenocarcinoma	BxPC-3 cells		CVCL_0186

References

Ref 1	Antibody-Prodrug Conjugates with KSP Inhibitors and Legumain-Mediated Metabolite Formation. Chemistry. 2019 Jun 21;25(35):8208-8213. doi: 10.1002/chem.201900441. Epub 2019 Apr 15.