Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0R1FT
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| Former ID |
DNC002908
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| Drug Name |
6-O-Cyclohexylmethyl Guanine
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| Synonyms |
6-(Cyclohexylmethoxy)-9H-purin-2-amine; nu2058; 161058-83-9; 6-(cyclohexylmethoxy)-9H-purin-2-amine; 6-O-CYCLOHEXYLMETHYL GUANINE; 2-amino-6-[(cyclohexylmethyl)oxy]purine; NU 2058; 2-amino-6-cyclohexylmethoxypurine; NU-2058; O6-Cyclohexylmethylguanine; CHEMBL269881; 1e1v; 1h1p; O-Cyclohexylmethylguanine; AC1Q4XUD; 9H-Purin-2-amine, 6-(cyclohexylmethoxy)-; O6-Cyclohexylmethyl guanine; AC1L1IG4; MLS001074898; SCHEMBL3462331; BDBM5485; CTK8D6642; CTK0E6580; EX-A790; AOB6207; MolPort-033-437-778; MolPort-003-958-993; MolPort-044-561-861; HMS3372K06; HMS3262L18; HMS2233F06
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C12H17N5O
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| Canonical SMILES |
C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)N
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| InChI |
1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17)
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| InChIKey |
MWGXGTJJAOZBNW-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID |
582481, 821335, 5016666, 7886663, 8035104, 11442573, 14823358, 17182941, 24724549, 29217601, 29223654, 46391760, 46392072, 46508467, 48394213, 49674686, 57322330, 57582459, 80872398, 85286108, 91721773, 103115478, 103577450, 104306769, 117522967, 121361682, 123059504, 124800454, 128657015, 128657016, 134341134, 135284033, 135698499, 137264946, 142501218, 160965600, 162450835, 163111556, 163564892, 175612611, 176225530, 178126791, 179236069, 179694516, 196365977, 215780895, 223555546, 223708445, 229476043, 249864316
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||
| REF 2 | Novel structural features of CDK inhibition revealed by an ab initio computational method combined with dynamic simulations. J Med Chem. 2006 Aug 24;49(17):5141-53. | |||
| REF 3 | N2-substituted O6-cyclohexylmethylguanine derivatives: potent inhibitors of cyclin-dependent kinases 1 and 2. J Med Chem. 2004 Jul 15;47(15):3710-22. | |||
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