Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00110
|
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| Drug Name |
YM155
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| Synonyms |
Sepantronium
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| Drug Type |
Small molecular drug
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| Indication | Breast cancer [ICD11:2C60-2C6Z] | Phase 2 | [1] | |||
| Non hodgkin's lymphoma [ICD11:2A8Z] | Phase 2 | [1] | ||||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C20H19BrN4O3
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| Canonical SMILES |
CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]
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| InChI |
InChI=1S/C20H19N4O3.BrH/c1-13-23(9-10-27-2)17-18(24(13)12-14-11-21-7-8-22-14)20(26)16-6-4-3-5-15(16)19(17)25;/h3-8,11H,9-10,12H2,1-2H3;1H/q+1;/p-1
|
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| InChIKey |
QBIYUDDJPRGKNJ-UHFFFAOYSA-M
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| CAS Number |
CAS 781661-94-7
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| Pharmaceutical Properties | Molecular Weight | 443.3 | Topological Polar Surface Area | 78 | ||
| Heavy Atom Count | 28 | Rotatable Bond Count | 5 | |||
| Hydrogen Bond Donor Count | 0 | Hydrogen Bond Acceptor Count | 6 | |||
| PubChem CID | ||||||
| PubChem SID |
126671465
,126731543
,135264254
,135626882
,136367721
,137060252
,152258115
,152344378
,160646954
,160671270
,162133986
,162202717
,16258519
,164023453
,164194055
,164834152
,174530716
,184811802
,198972028
,223401407
,223681577
,223704842
,227016048
,23368945
,241383574
,251971032
,252160324
,252216631
,252451818
,42257948
,49684264
,57376216
,79265296
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| ChEBI ID |
CHEBI:139608
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | 1-Oct | Transporter Info | Organic cation transporter 1 | Substrate | [2] | |
| 2-Oct | Transporter Info | Organic cation transporter 2 | Substrate | [2] | ||
| Drug-Transporter Activity Data | ||||||
| Drug-Transporter Activity Data | 1-Oct | Transporter Info | Km =22.1 microM | Human embryonic kidney cells (HEK293)-OCT1 | [2] | |
| 2-Oct | Transporter Info | Km =2.67 microM | Human embryonic kidney cells (HEK293)-OCT2 | [2] | ||
| References | ||||||
| 1 | ClinicalTrials.gov (NCT01007292) A Study of YM155 Plus Rituximab in Subjects With Non-Hodgkin's Lymphoma Who Have Received Prior Treatment | |||||
| 2 | Characterization of human organic cation transporter 1 (OCT1/SLC22A1)- and OCT2 (SLC22A2)-mediated transport of 1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(pyrazin-2-ylmethyl)- 4,9-dihydro-1H-naphtho[2,3-d]imidazolium bromide (YM155 monobromide), a novel small molecule survivin suppressant. Drug Metab Dispos. 2010 Jan;38(1):1-4. | |||||
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