Payload Information
General Information of This Payload
| Payload ID | PAY0CIBBG |
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| Name | BETd drug |
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| Synonyms |
BETd drug
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| Structure |
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| Formula | C59H72N10O11S |
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| Isosmiles | CC1=C(C2=CC=C([C@H](CO)NC(=O)C3C[C@@H](O)CC3C(=O)C(NC(=O)COCCCOCCNC(=O)C3=C4CN(C5=CC=CC=C5)C5=C(C=C(NC(=O)[C@H](C)NC(=O)[C@H](C)N)C=C5)C5=CN(C)C(=O)C(=C54)N3)C(C)(C)C)C=C2)SC=N1 |
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| InChI |
InChI=1S/C59H72N10O11S/c1-32(60)54(74)63-34(3)55(75)64-37-18-19-46-40(24-37)43-27-68(7)58(78)50-48(43)44(28-69(46)38-12-9-8-10-13-38)49(67-50)57(77)61-20-23-79-21-11-22-80-30-47(72)66-53(59(4,5)6)51(73)41-25-39(71)26-42(41)56(76)65-45(29-70)35-14-16-36(17-15-35)52-33(2)62-31-81-52/h8-10,12-19,24,27,31-32,34,39,41-42,45,53,67,70-71H,11,20-23,25-26,28-30,60H2,1-7H3,(H,61,77)(H,63,74)(H,64,75)(H,65,76)(H,66,72)/t32-,34-,39-,41?,42?,45-,53?/m0/s1
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| InChIKey |
DXDNULTUAPIDGB-SXNALCHZSA-N
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| Pharmaceutical Properties | Molecule Weight |
1129.351 |
Polar area |
301.43 |
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Complexity |
3237.439733 |
xlogp Value |
4.89762 |
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Heavy Count |
81 |
Rot Bonds |
23 |
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Hbond acc |
16 |
Hbond Donor |
9 |
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Each Antibody-drug Conjugate Related to This Payload
Full Information of The Activity Data of The ADC(s) Related to This Payload
Anti-Human CD33 BETd ADCs [Investigative]
Revealed Based on the Cell Line Data
| Experiment 1 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal Effective Concentration (EC50) | < 0.005 nM | |||
| Method Description |
Proliferation of AML cell lines in AML2 following treatment with ADCs, EC50 in mAb1-LD2
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| In Vitro Model | Adult acute myeloid leukemia, Acute myeloid leukemia with t(6;11)(q27;q23) KMT2A-MLLT4, Acute myeloid leukemia | AML2 cells | CVCL_1619 | ||
| Experiment 2 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal Effective Concentration (EC50) |
0.005 nM
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| Method Description |
Proliferation of AML cell lines in MOLM13 following treatment with ADCs, EC50 in mAb1-LD2
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| In Vitro Model | Adult acute myeloid leukemia | MOLM-13 cells | CVCL_2119 | ||
| Experiment 3 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal Effective Concentration (EC50) |
0.005 nM
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| Method Description |
Proliferation of AML cell lines in MV411 following treatment with ADCs, EC50 in mAb1-LD2
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| In Vitro Model | Childhood acute monocytic leukemia | MV4-11 cells | CVCL_0064 | ||
| Experiment 4 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal Effective Concentration (EC50) | < 0.005 nM | |||
| Method Description |
Proliferation of AML cell lines in AML2 following treatment with ADCs, EC50 in mAb1-LD3
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| In Vitro Model | Adult acute myeloid leukemia, Acute myeloid leukemia with t(6;11)(q27;q23) KMT2A-MLLT4, Acute myeloid leukemia | AML2 cells | CVCL_1619 | ||
| Experiment 5 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal Effective Concentration (EC50) |
0.005 nM
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| Method Description |
Proliferation of AML cell lines in MOLM13 following treatment with ADCs, EC50 in mAb1-LD3
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| In Vitro Model | Adult acute myeloid leukemia | MOLM-13 cells | CVCL_2119 | ||
| Experiment 6 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal Effective Concentration (EC50) | < 0.005 nM | |||
| Method Description |
Proliferation of AML cell lines in MV411 following treatment with ADCs, EC50 in mAb1-LD3
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| In Vitro Model | Childhood acute monocytic leukemia | MV4-11 cells | CVCL_0064 | ||
| Experiment 7 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal Effective Concentration (EC50) |
0.039 nM
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| Method Description |
Proliferation of AML cell lines in THP1 following treatment with ADCs, EC50 in mAb1-LD2
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| In Vitro Model | Acute monoblastic/monocytic leukemia, Childhood acute monocytic leukemia | THP1 cells | CVCL_0006 | ||
| Experiment 8 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal Effective Concentration (EC50) |
0.073 nM
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| Method Description |
Proliferation of AML cell lines in THP1 following treatment with ADCs, EC50 in mAb1-LD3
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| In Vitro Model | Acute monoblastic/monocytic leukemia, Childhood acute monocytic leukemia | THP1 cells | CVCL_0006 | ||
| Experiment 9 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal Effective Concentration (EC50) |
9.29 nM
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| Method Description |
Proliferation of AML cell lines in MV411 following treatment with ADCs, EC50 in mAb3-LD3
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| In Vitro Model | Childhood acute monocytic leukemia | MV4-11 cells | CVCL_0064 | ||
| Experiment 10 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal Effective Concentration (EC50) |
12.29 nM
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| Method Description |
Proliferation of AML cell lines in AML2 following treatment with ADCs, EC50 in mAb3-LD3
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| In Vitro Model | Adult acute myeloid leukemia, Acute myeloid leukemia with t(6;11)(q27;q23) KMT2A-MLLT4, Acute myeloid leukemia | AML2 cells | CVCL_1619 | ||
| Experiment 11 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal Effective Concentration (EC50) |
14.38 nM
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| Method Description |
Proliferation of AML cell lines in MOLM13 following treatment with ADCs, EC50 in mAb3-LD3
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| In Vitro Model | Adult acute myeloid leukemia | MOLM-13 cells | CVCL_2119 | ||
| Experiment 12 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal Effective Concentration (EC50) |
20.27 nM
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| Method Description |
Proliferation of AML cell lines in THP1 following treatment with ADCs, EC50 in mAb3-LD3
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| In Vitro Model | Acute monoblastic/monocytic leukemia, Childhood acute monocytic leukemia | THP1 cells | CVCL_0006 | ||