Payload Information
General Information of This Payload
| Payload ID | PAY0HMZGF |
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|---|---|---|---|---|---|---|
| Name | Duocarmycin A |
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| Synonyms |
Duocarmycin a; 118292-34-5; Deuocarmycin A; DC88-A; UNII-PJV9990868; PJV9990868; methyl (1R,4R,12S)-4-methyl-3,7-dioxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),8-diene-4-carboxylate; CYCLOPROPA(C)PYRROLO(3,2-E)INDOLE-6-CARBOXYLIC ACID, 1,2,4,5,6,7,8,8A-OCTAHYDRO-6-METHYL-4,7-DIOXO-2-((5,6,7-TRIMETHOXY-1H-INDOL-2-YL)CARBONYL)-, METHYL ESTER, (6R,7BR,8AS)-; Cyclopropa[c]pyrrolo[3,2-e]indole-6-carboxylic acid, 1,2,4,5,6,7,8,8a-octahydro-6-methyl-4,7-dioxo-2-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-, methyl ester, (6R,7bR,8aS)-; DUMA; (+)-DUOCARMYCIN A; CHEMBL161989; DC-88A; SCHEMBL19493154; DTXSID40922656; C26H25N3O8; Cyclopropa(c)pyrrolo(3,2-e)indole-6-carboxylic acid, 1,2,3,5,6,7,8,8a-octahydro-6-methyl-4,7-dioxo-2-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, (6R,7bR,8aS)-; Cyclopropa(c)pyrrolo(3,2-e)indole-6-carboxylic acid, 1,2,4,5,6,7,8,8a-octahydro-6-methyl-4,7-dioxo-2-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, (6R-(6alpha,7bR*,8aalpha))-; AKOS027256705; C26-H25-N3-O8; HY-12455; CS-0011399; Q27286591; CYCLOPROPA(C)PYRROLO(3,2-E)INDOLE-6-CARBOXYLIC ACID, 1,2,4,5,6,7,8,8A-OCTAHYDRO-6-METHYL-4,7-DIOXO-2-((5,6,7-TRIMETHOXY-1H-INDOL-2-YL)CARBONYL)-, METHYL ESTER, (6R-(6.ALPHA.,7BR*,8A.ALPHA.))-
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| Target(s) | Human Deoxyribonucleic acid (hDNA) | |||||
| Structure |
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| Formula | C26H25N3O8 |
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| Isosmiles | C[C@@]1(C(=O)C2=C(N1)C(=O)C=C3[C@@]24C[C@@H]4CN3C(=O)C5=CC6=CC(=C(C(=C6N5)OC)OC)OC)C(=O)OC |
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| PubChem CID | ||||||
| InChI |
InChI=1S/C26H25N3O8/c1-25(24(33)37-5)22(31)17-19(28-25)14(30)8-16-26(17)9-12(26)10-29(16)23(32)13-6-11-7-15(34-2)20(35-3)21(36-4)18(11)27-13/h6-8,12,27-28H,9-10H2,1-5H3/t12-,25-,26+/m1/s1
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| InChIKey |
AZVARJHZBXHUSO-DZQVEHCYSA-N
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| IUPAC Name |
methyl (1R,4R,12S)-4-methyl-3,7-dioxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),8-diene-4-carboxylate
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| Pharmaceutical Properties | Molecule Weight |
507.5 |
Polar area |
136 |
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Complexity |
1160 |
xlogp Value |
2 |
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Heavy Count |
37 |
Rot Bonds |
6 |
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Hbond acc |
9 |
Hbond Donor |
2 |
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The activity data of This Payload
| Standard Type | Value | Units | Cell line | Disease Model | Cell line ID | Reference |
|---|---|---|---|---|---|---|
| Half Maximal Inhibitory Concentration (IC50) | 0.000002 | ug/mL |
P388 cells
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Lymphoma
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| Half Maximal Inhibitory Concentration (IC50) | 0.000002 | ug/mL |
P388 cells
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Lymphoma
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| Half Maximal Inhibitory Concentration (IC50) | 0.0001 | ug/mL |
L1210 cells
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Lymphoblastic leukemia
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| Half Maximal Inhibitory Concentration (IC50) | 0.0002 | ug/mL |
B16 cells
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Melanoma
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| Half Maximal Inhibitory Concentration (IC50) | 15249.4 | nM |
ES7 cells
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Ewing sarcoma
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Each Antibody-drug Conjugate Related to This Payload
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