Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0OY5G
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| Former ID |
DNCL002299
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| Drug Name |
Brostallicin
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| Synonyms |
Brostallicin; UNII-RPC6R41K4I; 203258-60-0; RPC6R41K4I; PNU-166196A; Brostallicin [INN]; AC1OCFEA; SCHEMBL3678233; CHEMBL1189025; DTXSID70174222; ZINC3979512; Z-3228; 4-[[4-[[4-[[4-(2-bromoprop-2-enoylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1-methylpyrrole-2-carboxamide
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| Drug Type |
Small molecular drug
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| Indication | Breast cancer [ICD-11: 2C60-2C65] | Phase 2 | [1] | |
| Company |
Cell Therapeutics
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| Structure |
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Download2D MOL |
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| Formula |
C30H35BrN12O5
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| Canonical SMILES |
CN1C=C(C=C1C(=O)NCCN=C(N)N)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3C)NC(=O)C4=CC(=CN4C)NC(=O)C(=C)Br
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| InChI |
1S/C30H35BrN12O5/c1-16(31)25(44)36-17-9-22(41(3)12-17)27(46)38-19-11-24(43(5)14-19)29(48)39-20-10-23(42(4)15-20)28(47)37-18-8-21(40(2)13-18)26(45)34-6-7-35-30(32)33/h8-15H,1,6-7H2,2-5H3,(H,34,45)(H,36,44)(H,37,47)(H,38,46)(H,39,48)(H4,32,33,35)
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| InChIKey |
RXOVOXFAAGIKDQ-UHFFFAOYSA-N
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| CAS Number |
CAS 203258-60-0
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Human Deoxyribonucleic acid minor groove (hDNA min) | Target Info | Inhibitor | [2] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | ClinicalTrials.gov (NCT00633165) Brostallicin Clinical Trial for Myxoid Liposarcoma. U.S. National Institutes of Health. | |||
| REF 2 | Brostallicin (PNU-166196), a new minor groove DNA binder: preclinical and clinical activity. Expert Opin Investig Drugs. 2009 Dec;18(12):1939-46. | |||
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