Payload Information

General Information of This Payload

Payload ID	PAY0VDTJX
Name	Kinesin spindle protein (KSP) inhibitor 3c
Synonyms	KSP inhibitor 3c Click to Show/Hide
Target(s)	Kinesin-like protein KIF11 (KIF11)			Target Info
Formula	C40H52F2N8O8
Isosmiles	CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCN(C(=O)CO)[C@@H](c1cc(-c2cc(F)ccc2F)cn1Cc1ccccc1)C(C)(C)C)C(N)=O
InChI	InChI=1S/C40H52F2N8O8/c1-22(45-24(3)52)37(56)46-23(2)38(57)48-31(18-33(43)53)39(58)47-30(36(44)55)14-15-50(34(54)21-51)35(40(4,5)6)32-16-26(28-17-27(41)12-13-29(28)42)20-49(32)19-25-10-8-7-9-11-25/h7-13,16-17,20,22-23,30-31,35,51H,14-15,18-19,21H2,1-6H3,(H2,43,53)(H2,44,55)(H,45,52)(H,46,56)(H,47,58)(H,48,57)/t22-,23-,30-,31-,35-/m0/s1
Pharmaceutical Properties	Molecule Weight	810.9	Polar area	248.05
	Complexity	58	xlogp Value	1.1394
	Heavy Count	58	Rot Bonds	19
	Hbond acc	9	Hbond Donor	7

Each Antibody-drug Conjugate Related to This Payload

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

TWEAKR ADC 3c [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)	0.30 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	Colon adenocarcinoma	LoVo cells		CVCL_0399
Experiment 2 Reporting the Activity Date of This ADC					[1]
Efficacy Data	Half Maximal Inhibitory Concentration (IC50)	0.80 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)	2.10 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	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.