Payload Information

General Information of This Payload

Payload ID	PAY0UZIYQ
Name	Kinesin spindle protein (KSP) inhibitor 3b
Synonyms	KSP inhibitor 3b Click to Show/Hide
Target(s)	Kinesin-like protein KIF11 (KIF11)			Target Info
Formula	C41H56F2N8O7
Isosmiles	CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(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)C(C)C
InChI	InChI=1S/C41H56F2N8O7/c1-24(2)35(47-25(3)53)39(57)49-32(13-10-17-46-40(45)58)38(56)48-31(37(44)55)16-18-51(34(54)23-52)36(41(4,5)6)33-19-27(29-20-28(42)14-15-30(29)43)22-50(33)21-26-11-8-7-9-12-26/h7-9,11-12,14-15,19-20,22,24,31-32,35-36,52H,10,13,16-18,21,23H2,1-6H3,(H2,44,55)(H,47,53)(H,48,56)(H,49,57)(H3,45,46,58)/t31-,32-,35-,36-/m0/s1
Pharmaceutical Properties	Molecule Weight	810.944	Polar area	230.98
	Complexity	58	xlogp Value	2.8439
	Heavy Count	58	Rot Bonds	20
	Hbond acc	8	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 3b [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)	0.60 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 2 Reporting the Activity Date of This ADC					[1]
Efficacy Data	Half Maximal Inhibitory Concentration (IC50)	0.60 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 3 Reporting the Activity Date of This ADC					[1]
Efficacy Data	Half Maximal Inhibitory Concentration (IC50)	1.10 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.