Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D08ZHT
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| Former ID |
DNC000547
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| Drug Name |
Diazaborines
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| Synonyms |
KBPMSEXASFSGEI-WRBBICKQSA-N; Neomycin B-arginine conjugate; NeoR; AC1LAWYH; Hexaarginine-Neomycin B Conjugate; [D-Streptamine, O-2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1fwdarw4)-O-[O-2,6-diamino-2,6-dideoxy-beta-L-idopyranyl- (1fwdarw3)-beta-D-ribofuranosyl-(1fwdarw5)]-2-deoxy]-arginine
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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 |
C59H118N30O19
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| Canonical SMILES |
C1C(C(C(C(C1NC(=O)C(CCCN=C(N)N)N)OC2C(C(C(C(O2)CNC(=O)C(CCCN=C(N)N)N)O)O)NC(=O)C(CCCN=C(N)N)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CNC(=O)C(CCCN=C(N)N)N)O)O)NC(=O)C(CCCN=C(N)N)N)O)O)NC(=O)C(CCCN=C(N)N)N
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| InChI |
1S/C59H118N30O19/c60-23(7-1-13-78-54(66)67)45(97)84-20-31-37(92)39(94)34(88-49(101)27(64)11-5-17-82-58(74)75)51(103-31)106-42-30(87-48(100)26(63)10-4-16-81-57(72)73)19-29(86-47(99)25(62)9-3-15-80-56(70)71)36(91)44(42)108-53-41(96)43(33(22-90)105-53)107-52-35(89-50(102)28(65)12-6-18-83-59(76)77)40(95)38(93)32(104-52)21-85-46(98)24(61)8-2-14-79-55(68)69/h23-44,51-53,90-96H,1-22,60-65H2,(H,84,97)(H,85,98)(H,86,99)(H,87,100)(H,88,101)(H,89,102)(H4,66,67,78)(H4,68,69,79)(H4,70,71,80)(H4,72,73,81)(H4,74,75,82)(H4,76,77,83)/t23-,24-,25-,26-,27-,28-,29+,30-,31+,32-,33+,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44+,51+,52?,53-/m0/s1
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| InChIKey |
KBPMSEXASFSGEI-WRBBICKQSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Bacterial NADH-dependent enoyl-ACP reductase 1 (Bact fabI1) | Target Info | Inhibitor | [2] |
| Bacterial NADH-dependent enoyl-ACP reductase 2 (Bact fabI2) | Target Info | Inhibitor | [2] | |
| Human immunodeficiency virus TAR RNA (HIV TAR-RNA) | Target Info | Inhibitor | [1] | |
| Plasmodium Enoyl-ACP reductase (Malaria fabI) | Target Info | Inhibitor | [2] | |
| KEGG Pathway | Fatty acid biosynthesis | |||
| Biotin metabolism | ||||
| Metabolic pathways | ||||
| Fatty acid metabolism | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Neomycin B-arginine conjugate, a novel HIV-1 Tat antagonist: synthesis and anti-HIV activities. Biochemistry. 2001 Dec 25;40(51):15612-23. | |||
| REF 2 | Lipid biosynthesis as a target for antibacterial agents. Prog Lipid Res. 2001 Nov;40(6):467-97. | |||
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