Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0L0DC
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| Former ID |
DIB019024
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| Drug Name |
bromo-deaza-SAH
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| Synonyms |
CHEMBL2349526; bromo-deaza-SAH; (2s)-2-Amino-4-({[(2s,3s,4r,5r)-5-(4-Amino-5-Bromo-7h-Pyrrolo[2,3-D]pyrimidin-7-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl}sulfanyl)butanoic Acid (Non-Preferred Name); GTPL7018; BDBM50431676; (S)-2-Amino-4-[[(2S)-3beta,4beta-dihydroxy-5alpha-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidine-7-yl)tetrahydrofuran-2alpha-yl]methylthio]butanoic acid; (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
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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 |
C15H20BrN5O5S
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| Canonical SMILES |
C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N)Br
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| InChI |
1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1
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| InChIKey |
DIULHULFPSIBAK-TWBCTODHSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Histone-lysine N-methyltransferase (HLNM) | Target Info | Inhibitor | [2] |
| KEGG Pathway | Lysine degradation | |||
| Transcriptional misregulation in cancer | ||||
| Reactome | PKMTs methylate histone lysines | |||
| WikiPathways | Histone Modifications | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | DOT1L, the H3K79 methyltransferase, is required for MLL-AF9-mediated leukemogenesis. Blood. 2011 Jun 23;117(25):6912-22. | |||
| REF 2 | Bromo-deaza-SAH: a potent and selective DOT1L inhibitor. Bioorg Med Chem. 2013 Apr 1;21(7):1787-94. | |||
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