Payload Information

General Information of This Payload

Payload ID	PAY0FQNWH
Name	DC1
Synonyms	169901-27-3; DC1; (S)-N-(2-(1-(Chloromethyl)-5-hydroxy-2,3-dihydro-1H-benzo[e]indole-3-carbonyl)-1H-indol-5-yl)-5-(3-mercaptopropanamido)-1H-indole-2-carboxamide; SCHEMBL12126075; AKOS040732933; HY-112899; CS-0067645; N-{2-[(1S)-1-(chloromethyl)-5-hydroxy-1H,2H,3H-benzo[e]indole-3-carbonyl]-1H-indol-5-yl}-5-(3-sulfanylpropanamido)-1H-indole-2-carboxamide Click to Show/Hide
Target(s)	Human Deoxyribonucleic acid (hDNA)			Target Info
Structure
Structure	3D MOL		2D MOL
Formula	C34H28ClN5O4S
Isosmiles	C1[C@H](C2=C(N1C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C5=CC6=C(N5)C=CC(=C6)NC(=O)CCS)C=C(C7=CC=CC=C72)O)CCl
PubChem CID	9874137
InChI	InChI=1S/C34H28ClN5O4S/c35-16-20-17-40(29-15-30(41)23-3-1-2-4-24(23)32(20)29)34(44)28-14-19-12-22(6-8-26(19)39-28)37-33(43)27-13-18-11-21(5-7-25(18)38-27)36-31(42)9-10-45/h1-8,11-15,20,38-39,41,45H,9-10,16-17H2,(H,36,42)(H,37,43)/t20-/m1/s1
InChIKey	ZASLXALGERLDLT-HXUWFJFHSA-N
IUPAC Name	N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-5-(3-sulfanylpropanoylamino)-1H-indole-2-carboxamide
Pharmaceutical Properties	Molecule Weight	638.1	Polar area	131
	Complexity	1120	xlogp Value	5.4
	Heavy Count	45	Rot Bonds	7
	Hbond acc	5	Hbond Donor	6

Each Antibody-drug Conjugate Related to This Payload

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

B4-SPP-DC1 [Investigative]

ADC Info

Revealed Based on the Cell Line Data

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

Experiment 1 Reporting the Activity Date of This ADC					[1]
Efficacy Data	Half Maximal Inhibitory Concentration (IC50)	1.40 pM	Positive CD19 expression (CD19+++/++)
Method Description	Cytotoxicity of B4-SPP-DCx Conjugates (without acid phosphatase treatment) against Ramos (Ag+) and HL60/s (Ag-) Cells.
In Vitro Model	Burkitt lymphoma	Ramos cells		CVCL_0597
Experiment 2 Reporting the Activity Date of This ADC					[1]
Efficacy Data	Half Maximal Inhibitory Concentration (IC50)	1.30 nM	Negative CD19 expression(CD19-)
Method Description	Cytotoxicity of B4-SPP-DCx Conjugates (without acid phosphatase treatment) against Ramos (Ag+) and HL60/s (Ag-) Cells.
In Vitro Model	Adult acute myeloid leukemia	HL-60 cells		CVCL_0002

References

Ref 1	Synthesis and biological evaluation of antibody conjugates of phosphate prodrugs of cytotoxic DNA alkylators for the targeted treatment of cancer. J Med Chem. 2012 Jan 26;55(2):766-82. doi: 10.1021/jm201284m.