Drug Information
Drug General Information | |||||
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Drug ID |
D02GIA
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Former ID |
DIB016905
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Drug Name |
BL-7040
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Synonyms |
Monarsen; EN-101; TLR-9 activator (oral, inflammatory bowel disease), BioLineRx; TLR-9 activator (oral, inflammatory bowel disease), Hebrew University of Jerusalem
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Drug Type |
Small molecular drug
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Indication | Inflammatory bowel disease [ICD9: 555, 556; ICD10:K50, K51] | Phase 2 | [523753] | ||
Company |
Yissum Research Development Co
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Structure |
Download2D MOL |
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Formula |
C194H253N64O106P19S19
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Canonical SMILES |
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3CO)N4C=C<br />C(=NC4=O)N)OP(=S)(O)OCC5C(CC(O5)N6C=NC7=C6N=C(NC7=O)N)O<br />P(=S)(O)OCC8C(CC(O8)N9C=CC(=NC9=O)N)OP(=S)(O)OCC1C(CC(O<br />1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=CN=C<br />2N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(<br />CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(<br />C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP<br />(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1<br />)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)<br />N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1<br />C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2<br />=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(<br />=S)(O)OCC1C(C(C(O1)N1C=NC2=C1N=CN=C2N)OC)OP(=S)(O)OCC1C<br />(C(C(O1)N1C=CC(=NC1=O)N)OC)OP(=S)(O)OCC1C(C(C(O1)N1C=CC<br />(=NC1=O)N)OC)O
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InChI |
1S/C194H253N64O106P19S19/c1-78-45-248(189(279)233-165(78)261)137-35-91(108(333-137)58-307-365(285,384)346-84-28-130(326-101(84)51-259)239-19-10-121(195)218-180(239)270)357-375(295,394)321-66-116-98(42-144(341-116)255-74-215-149-162(255)227-177(206)230-171(149)267)360-378(298,397)312-56-106-85(29-131(331-106)240-20-11-122(196)219-181(240)271)347-366(286,385)308-52-102-88(32-134(327-102)243-23-14-125(199)222-184(243)274)350-369(289,388)319-64-114-97(41-143(339-114)254-73-213-147-158(204)209-71-211-160(147)254)359-377(297,396)311-55-105-89(33-135(330-105)244-24-15-126(200)223-185(244)275)351-370(290,389)320-65-115-100(44-146(340-115)257-76-217-151-164(257)229-179(208)232-173(151)269)362-380(300,399)318-63-113-95(39-141(338-113)252-49-82(5)169(265)237-193(252)283)356-374(294,393)316-61-111-93(37-139(336-111)250-47-80(3)167(263)235-191(250)281)354-372(292,391)310-54-104-86(30-132(329-104)241-21-12-123(197)220-182(241)272)348-367(287,386)314-59-109-92(36-138(334-109)249-46-79(2)166(262)234-190(249)280)353-371(291,390)309-53-103-87(31-133(328-103)242-22-13-124(198)221-183(242)273)349-368(288,387)315-60-110-94(38-140(335-110)251-48-81(4)168(264)236-192(251)282)355-373(293,392)317-62-112-96(40-142(337-112)253-50-83(6)170(266)238-194(253)284)358-376(296,395)322-67-117-99(43-145(342-117)256-75-216-150-163(256)228-178(207)231-172(150)268)361-379(299,398)313-57-107-90(34-136(332-107)245-25-16-127(201)224-186(245)276)352-381(301,400)324-69-120-154(157(306-9)176(345-120)258-77-214-148-159(205)210-72-212-161(148)258)364-383(303,402)325-70-119-153(156(305-8)175(344-119)247-27-18-129(203)226-188(247)278)363-382(302,401)323-68-118-152(260)155(304-7)174(343-118)246-26-17-128(202)225-187(246)277/h10-27,45-50,71-77,84-120,130-146,152-157,174-176,259-260H,28-44,51-70H2,1-9H3,(H,285,384)(H,286,385)(H,287,386)(H,288,387)(H,289,388)(H,290,389)(H,291,390)(H,292,391)(H,293,392)(H,294,393)(H,295,394)(H,296,395)(H,297,396)(H,298,397)(H,299,398)(H,300,399)(H,301,400)(H,302,401)(H,303,402)(H2,195,218,270)(H2,196,219,271)(H2,197,220,272)(H2,198,221,273)(H2,199,222,274)(H2,200,223,275)(H2,201,224,276)(H2,202,225,277)(H2,203,226,278)(H2,204,209,211)(H2,205,210,212)(H,233,261,279)(H,234,262,280)(H,235,263,281)(H,236,264,282)(H,237,265,283)(H,238,266,284)(H3,206,227,230,267)(H3,207,228,231,268)(H3,208,229,232,269)
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InChIKey |
QJYMZHMIZZYHBI-UHFFFAOYSA-N
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PubChem Compound ID | |||||
PubChem Substance ID | |||||
Target and Pathway | |||||
Target(s) | Toll-like receptor 9 | Target Info | Activator | [533251] | |
NetPath Pathway | BCR Signaling Pathway | ||||
PANTHER Pathway | Toll receptor signaling pathway | ||||
References |
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