Payload Information

General Information of This Payload

Payload ID	PAY0QOTGB
Name	Tubulysin 9
Synonyms	Tubulysin I; 799822-10-9; EX-A5466J; HY-N7052; AKOS040740947; CS-0101871 Click to Show/Hide
Target(s)	Microtubule (MT)			Target Info
Structure
Structure	3D MOL		2D MOL
Formula	C40H59N5O10S
Isosmiles	CC[C@H](C)[C@@H](C(=O)N(COC(=O)C)[C@H](C[C@H](C1=NC(=CS1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@H]3CCCCN3C
PubChem CID	11422937
InChI	InChI=1S/C40H59N5O10S/c1-9-24(4)35(43-37(50)32-12-10-11-17-44(32)8)39(51)45(22-54-26(6)46)33(23(2)3)20-34(55-27(7)47)38-42-31(21-56-38)36(49)41-29(18-25(5)40(52)53)19-28-13-15-30(48)16-14-28/h13-16,21,23-25,29,32-35,48H,9-12,17-20,22H2,1-8H3,(H,41,49)(H,43,50)(H,52,53)/t24-,25-,29+,32+,33+,34+,35-/m0/s1
InChIKey	ADNHOQYEDVQAGD-XYFJCUIBSA-N
IUPAC Name	(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[acetyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoic acid
Pharmaceutical Properties	Molecule Weight	802	Polar area	233
	Complexity	1330	xlogp Value	3.4
	Heavy Count	56	Rot Bonds	22
	Hbond acc	13	Hbond Donor	4

Each Antibody-drug Conjugate Related to This Payload

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

Alpha-CD30-9 [Investigative]

ADC Info

Discovered Using Cell Line-derived Xenograft Model

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

Experiment 1 Reporting the Activity Date of This ADC					[1]
Efficacy Data	Tumor Growth Inhibition value (TGI)	≈ 90.90% (Day 16)	Positive CD30 expression (CD30+++/++)
Method Description	Alpha-CD30-9 (1.2 m ug/kg, every seven days x3) induces efficient tumor cell killing in cell line-derived models of CD30+, MDR+ DEL/BVR ALCL cells with CD30 expression with high expression.
In Vivo Model	DEL/BVR CDX model
In Vitro Model	Anaplastic large cell lymphoma	DEL/BVR cells		CVCL_1170
Experiment 2 Reporting the Activity Date of This ADC					[1]
Efficacy Data	Tumor Growth Inhibition value (TGI)	≈ 93.70% (Day 28)	Positive CD30 expression (CD30+++/++)
Method Description	Alpha-CD30-9 (0.5 m ug/kg, every seven days x3) induces efficient tumor cell killing in cell line-derived models of CD30+, MDR-L540cy HL cells with CD30 expression with high expression.
In Vivo Model	L540cy CDX model
In Vitro Model	Hodgkin's disease	L540cy cells		Homo sapiens

References

Ref 1	Glucuronide-Linked Antibody-Tubulysin Conjugates Display Activity in MDR(+) and Heterogeneous Tumor Models. Mol Cancer Ther. 2018 Aug;17(8):1752-1760. doi: 10.1158/1535-7163.MCT-18-0073. Epub 2018 Jun 4.