Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D06KCU
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| Former ID |
DCL000883
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| Drug Name |
MLN1202
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| Drug Type |
Small molecular drug
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| Indication | Metastatic cancer; Multiple scierosis [ICD9: 140-199, 140-229, 210-229, 340; ICD10:D10-D36, D3A, G35] | Phase 2 | [537520] | ||
| Company |
Novartis & Millenium
|
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| Structure |
|
Download2D MOL |
|||
| Formula |
C58H60N24Na2O22S6
|
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| Canonical SMILES |
C1=CC(=CC(=C1)S(=O)(=O)N(CC(=O)N)CC(=O)N)NC2=NC(=NC(=N2<br />)NC3=CC(=C(C=C3)C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC<br />=C6)S(=O)(=O)N(CC(=O)N)CC(=O)N)NC7=CC(=CC=C7)S(=O)(=O)N<br />(CC(=O)N)CC(=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])NC8=CC(=CC<br />=C8)S(=O)(=O)N(CC(=O)N)CC(=O)N.[Na+].[Na+]
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| InChI |
1S/C58H62N24O22S6.2Na/c59-45(83)23-79(24-46(60)84)105(91,92)37-9-1-5-31(17-37)67-53-73-54(68-32-6-2-10-38(18-32)106(93,94)80(25-47(61)85)26-48(62)86)76-57(75-53)71-35-13-15-41(43(21-35)109(99,100)101)42-16-14-36(22-44(42)110(102,103)104)72-58-77-55(69-33-7-3-11-39(19-33)107(95,96)81(27-49(63)87)28-50(64)88)74-56(78-58)70-34-8-4-12-40(20-34)108(97,98)82(29-51(65)89)30-52(66)90;;/h1-22H,23-30H2,(H2,59,83)(H2,60,84)(H2,61,85)(H2,62,86)(H2,63,87)(H2,64,88)(H2,65,89)(H2,66,90)(H,99,100,101)(H,102,103,104)(H3,67,68,71,73,75,76)(H3,69,70,72,74,77,78);;/q;2*+1/p-2
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| InChIKey |
UNNCHYARSNZOPF-UHFFFAOYSA-L
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | C-C chemokine receptor type 2 | Target Info | Antagonist | [536223] | |
| References | |||||
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