Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0O2CM
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| Former ID |
DNC005137
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| Drug Name |
FLUORO-NEPLANOCIN A
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| Synonyms |
CHEMBL64718; (1s,2r,5s)-5-(6-amino-9h-purin-9-yl)-4-fluoro-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol; FLUORO-NEPLANOCIN A; AC1LAYBA; SCHEMBL9215628; ZINC3801483; BDBM50144206; KB-77273; 5-(6-Amino-purin-9-yl)-4-fluoro-3-hydroxymethyl-cyclopent-3-ene-1,2-diol; (1S,2R,5S)-5-(6-aminopurin-9-yl)-4-fluoro-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C11H12FN5O3
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| Canonical SMILES |
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(=C3F)CO)O)O)N
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| InChI |
1S/C11H12FN5O3/c12-5-4(1-18)8(19)9(20)7(5)17-3-16-6-10(13)14-2-15-11(6)17/h2-3,7-9,18-20H,1H2,(H2,13,14,15)/t7-,8-,9+/m1/s1
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| InChIKey |
RWUXFWACUXDNKY-HLTSFMKQSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Adenosylhomocysteinase (AHCY) | Target Info | Inhibitor | [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 | Synthesis of 5'-substituted fluoro-neplanocin A analogues: importance of a hydrogen bonding donor at 5'-position for the inhibitory activity of S-a... Bioorg Med Chem Lett. 2004 Nov 15;14(22):5641-4. | |||
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