Payload Information | ADCdb

General Information of This Payload

Payload ID	PAY0FQNFR
Name	OH-Pro-dideoxy-alpha-amanitin
Synonyms	OH-Pro-dideoxy-alpha-amanitin Click to Show/Hide
Target(s)	DNA-directed RNA polymerase II subunit RPB2 (POLR2B); DNA-directed RNA polymerase III subunit RPC7 (POLR3G)					Target Info
Structure
Structure	3D MOL			2D MOL
Formula	C39H54N10O12S
Isosmiles	CCC(C)C1NC(=O)CNC(=O)C2Cc3c([nH]c4ccccc34)SCC(NC(=O)CNC1=O)C(=O)NC(CC(N)=O)C(=O)N1CC(O)CC1C(=O)NC(C(C)C(O)CO)C(=O)N2
InChI	InChI=1S/C39H54N10O12S/c1-4-17(2)31-36(59)42-12-29(54)43-25-16-62-38-21(20-7-5-6-8-22(20)46-38)10-23(33(56)41-13-30(55)47-31)44-37(60)32(18(3)27(52)15-50)48-35(58)26-9-19(51)14-49(26)39(61)24(11-28(40)53)45-34(25)57/h5-8,17-19,23-27,31-32,46,50-52H,4,9-16H2,1-3H3,(H2,40,53)(H,41,56)(H,42,59)(H,43,54)(H,44,60)(H,45,57)(H,47,55)(H,48,58)
InChIKey	RXGJTYFDKOHJHK-UHFFFAOYSA-N
Pharmaceutical Properties	Molecule Weight		886.986	Polar area		343.58
	Complexity		62	xlogp Value		-4.6413
	Heavy Count		62	Rot Bonds		7
	Hbond acc		13	Hbond Donor		12

The activity data of This Payload

Standard Type	Value	Units	Cell line	Disease Model	Cell line ID	Reference
Half Maximal Inhibitory Concentration (IC50)	74.2±5.4	nM	HeLa cells	Endocervical adenocarcinoma	CVCL_0030	[1]

Each Antibody-drug Conjugate Related to This Payload

References

Ref 1	Design, Synthesis, and Biochemical Evaluation of Alpha-Amanitin Derivatives Containing Analogs of the trans-Hydroxyproline Residue for Potential Use in Antibody-Drug Conjugates. Chemistry. 2021 Jul 16;27(40):10282-10292.

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