Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0G2JZ
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| Former ID |
DNC000323
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| Drug Name |
Bisbenzimide (Hoechst 33258)
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| Synonyms |
Hoechst 33342; 23491-52-3; Bisbenzimide; hoechst33342; UNII-99KZS6CNZX; Ho 342; 2'-(4-Ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1H,1'H-2,5'-bibenzo[d]imidazole; EINECS 245-691-1; 99KZS6CNZX; 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole; CHEMBL343002; CHEBI:51232; 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-1H-benzimidazole; 2'-(4'-Ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-2,5'-bis-1H-benzimidazole trihydrochloride trihydrate
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| Drug Type |
Small molecular drug
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| Indication | Solid tumour/cancer [ICD-11: 2A00-2F9Z; ICD-10: C76-C80; ICD-9: 140-229] | Terminated | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C27H28N6O
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| Canonical SMILES |
CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C
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| InChI |
1S/C27H28N6O/c1-3-34-21-8-4-18(5-9-21)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-7-20(17-25(23)31-27)33-14-12-32(2)13-15-33/h4-11,16-17H,3,12-15H2,1-2H3,(H,28,30)(H,29,31)
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| InChIKey |
PRDFBSVERLRRMY-UHFFFAOYSA-N
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| CAS Number |
CAS 23491-52-3
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| PubChem Compound ID | ||||
| PubChem Substance ID |
13370, 3139814, 5522209, 7543792, 7888233, 11120266, 11120754, 11121242, 11121746, 11122226, 11362895, 11365457, 11368019, 11370981, 11370982, 11373620, 11376181, 11404370, 14931137, 24439802, 24511022, 26701859, 26718767, 26756838, 26756839, 47216565, 47810531, 48496159, 49893496, 50111448, 51005510, 56436354, 56464091, 57320908, 85788275, 92310097, 92469638, 93166607, 93576070, 99301009, 99302529, 103386844, 103826188, 104297815, 117443008, 124573766, 128956343, 128956344, 134994352, 135727639
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| ChEBI ID |
CHEBI:51232
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Human Deoxyribonucleic acid (hDNA) | Target Info | Binder (minor groove binder) | [2] |
| References | Top | |||
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| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001915) | |||
| REF 2 | Sequence-dependent effects in drug-DNA interaction: the crystal structure of Hoechst 33258 bound to the d(CGCAAATTTGCG)2 duplex. Nucleic Acids Res. 1994 May 11;22(9):1607-12. | |||
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