Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0E5JC
|
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| Former ID |
DCL000173
|
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| Drug Name |
MSX-122
|
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| Drug Type |
Small molecular drug
|
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| Indication | Solid tumours [ICD9: 140-199, 210-229; ICD10:C00-D48] | Phase 1 | [548672] | ||
| Therapeutic Class |
Anticancer Agents
|
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| Company |
Metastatix
|
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| Structure |
|
Download2D MOL |
|||
| Formula |
C67H78F3N7O15S
|
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| Canonical SMILES |
CC1C=CC=C(C(=O)N=C2C3=C(C4=C5C(=C(C(=C4C2=O)O)C)OC(C5=O<br />)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)NC6=C(O3)C=C<br />(C=C6O)N7CCN(CC7)CC(C)C)C.CC1=C(C=CN=C1CS(=O)C2=NC3=CC=<br />CC=C3N2)OCC(F)(F)F
|
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| InChI |
1S/C51H64N4O13.C16H14F3N3O2S/c1-24(2)23-54-16-18-55(19-17-54)32-21-33(57)39-35(22-32)67-48-40(52-39)36-37-44(60)30(8)47-38(36)49(62)51(10,68-47)65-20-15-34(64-11)27(5)46(66-31(9)56)29(7)43(59)28(6)42(58)25(3)13-12-14-26(4)50(63)53-41(48)45(37)61;1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h12-15,20-22,24-25,27-29,34,42-43,46,52,57-60H,16-19,23H2,1-11H3;2-7H,8-9H2,1H3,(H,21,22)/b13-12+,20-15+,26-14-,53-41?;/t25-,27+,28+,29+,34-,42-,43+,46+,51-;/m0./s1
|
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| InChIKey |
HOYYJUCGUREVAY-LAZHUHEBSA-N
|
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| CAS Number |
CAS 129791-92-0
|
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | C-X-C chemokine receptor 4 | Target Info | Antagonist | [535860] | |
| References | |||||
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