Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D01MUU
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| Former ID |
DNC006574
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| Drug Name |
MELAGATRAN
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| Synonyms |
Melagatran; 159776-70-2; UNII-2A9QP32MD4; Melagatran [INN]; 2A9QP32MD4; CHEBI:43966; MELAGATRAN (ASTRA-ZENECA); C22H31N5O4; Melagatran (INN); N-((R)-(((2S)-2-((-p-Amidobenzyl)carbamoyl)-1-azetidinyl)carbonyl)cyclohexylmethyl)glycine; [((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID; MEL; H-319/68; N-((R)-(((2S)-2-((p-Amidinobenzyl)carbamoyl)-1-azetidinyl)carbonyl)cyclohexylmethyl)glycine
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| Drug Type |
Small molecular drug
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| Structure |
 |
Download2D MOL |
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| Formula |
C22H31N5O4
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| Canonical SMILES |
C1CCC(CC1)C(C(=O)N2CCC2C(=O)NCC3=CC=C(C=C3)C(=N)N)NCC(=O)O
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| InChI |
1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1
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| InChIKey |
DKWNMCUOEDMMIN-PKOBYXMFSA-N
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| CAS Number |
CAS 159776-70-2
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| PubChem Compound ID | ||||
| PubChem Substance ID |
823967, 823976, 7888877, 10260002, 12015035, 14807481, 14832162, 33506196, 46392332, 49973260, 51091482, 75448641, 81054817, 87225413, 103986867, 104234149, 104440513, 127347174, 127347175, 135161591, 137220555, 137237552, 139272419, 160657372, 162169159, 163125710, 164228525, 164761749, 176225277, 178103000, 180372434, 198939790, 204369753, 215780616, 223554840, 226415180, 247111512
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| ChEBI ID |
CHEBI:43966
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| SuperDrug ATC ID |
B01AE04
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | Orally active thrombin inhibitors. Part 1: optimization of the P1-moiety. Bioorg Med Chem Lett. 2006 May 15;16(10):2641-7. | |||
| REF 2 | Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety. Bioorg Med Chem Lett. 2006 May 15;16(10):2648-53. | |||
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