Payload Information

General Information of This Payload

Payload ID	PAY0YDVEA
Name	Kinesin spindle protein (KSP) inhibitor 3e
Synonyms	KSP inhibitor 3e Click to Show/Hide
Target(s)	Kinesin-like protein KIF11 (KIF11)			Target Info
Formula	C45H55F2N9O8
Isosmiles	C[C@H](NC(=O)Cc1ccncc1)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/C45H55F2N9O8/c1-26(51-38(59)19-28-13-16-50-17-14-28)42(62)52-27(2)43(63)54-35(22-37(48)58)44(64)53-34(41(49)61)15-18-56(39(60)25-57)40(45(3,4)5)36-20-30(32-21-31(46)11-12-33(32)47)24-55(36)23-29-9-7-6-8-10-29/h6-14,16-17,20-21,24,26-27,34-35,40,57H,15,18-19,22-23,25H2,1-5H3,(H2,48,58)(H2,49,61)(H,51,59)(H,52,62)(H,53,64)(H,54,63)/t26-,27-,34-,35-,40-/m0/s1
Pharmaceutical Properties	Molecule Weight	887.986	Polar area	260.94
	Complexity	64	xlogp Value	1.7572
	Heavy Count	64	Rot Bonds	21
	Hbond acc	10	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 3e [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)	0.90 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	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)	1.20 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.