Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0R2QS
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| Former ID |
DNC001008
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| Drug Name |
Neplanocin A
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| Synonyms |
72877-50-0; NPC-A; A-11079-B1B; NEOPLANOCIN A; (1s,2r,5r)-5-(6-amino-9h-purin-9-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol; NSC 316458; CHEMBL8771; (-)-9-(trans-2,trans-3-Dihydroxy-4-(hydroxymethyl)-cyclopent-4-enyl)-adenine; 4-Cyclopentene-1,2-diol, 3-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)-, (1S,2R,3R)-; (1S,2R,5R)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol; Nephanocin A; AC1Q4VG9; AC1L2J1E; SCHEMBL10469277; CTK5D6979; MolPort-044-561-069; ZINC3832328; BDBM50006222; CCG-208688; DIBRT
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C11H13N5O3
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| Canonical SMILES |
C1=C(C(C(C1N2C=NC3=C(N=CN=C32)N)O)O)CO
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| InChI |
1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)/t6-,8-,9+/m1/s1
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| InChIKey |
XUGWUUDOWNZAGW-VDAHYXPESA-N
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| CAS Number |
CAS 72877-50-0
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Adenosylhomocysteinase (AHCY) | Target Info | Inhibitor | [2] |
| Thyroid hormone receptor (THR) | Target Info | Antagonist | [1] | |
| BioCyc | Superpathway of methionine degradation | |||
| Methionine degradation | ||||
| Cysteine biosynthesis | ||||
| KEGG Pathway | Cysteine and methionine metabolism | |||
| Metabolic pathways | ||||
| Pathwhiz Pathway | Selenoamino Acid Metabolism | |||
| Betaine Metabolism | ||||
| Methionine Metabolism | ||||
| WikiPathways | Metabolism of amino acids and derivatives | |||
| Trans-sulfuration and one carbon metabolism | ||||
| One Carbon Metabolism | ||||
| Trans-sulfuration pathway | ||||
| Phase II conjugation | ||||
| Folate Metabolism | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Design of thyroid hormone receptor antagonists from first principles. J Steroid Biochem Mol Biol. 2002 Dec;83(1-5):59-73. | |||
| REF 2 | Molecular approaches for the treatment of hemorrhagic fever virus infections. Antiviral Res. 1993 Sep;22(1):45-75. | |||
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