Drug Information

Drug General Information
Drug ID
D02GIA
Former ID
DIB016905
Drug Name
BL-7040
Synonyms
Monarsen; EN-101; TLR-9 activator (oral, inflammatory bowel disease), BioLineRx; TLR-9 activator (oral, inflammatory bowel disease), Hebrew University of Jerusalem
Drug Type
Small molecular drug
Indication Inflammatory bowel disease [ICD9: 555, 556; ICD10:K50, K51] Phase 2 [523753]
Company
Yissum Research Development Co
Structure
Download
2D MOL

3D MOL
Formula
C194H253N64O106P19S19
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
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)
InChIKey
QJYMZHMIZZYHBI-UHFFFAOYSA-N
PubChem Compound ID
56841946
PubChem Substance ID
135263919
Target and Pathway
Target(s) Toll-like receptor 9 Target Info Activator [533251]
KEGG Pathway Toll-like receptor signaling pathway
Chagas disease (American trypanosomiasis)
African trypanosomiasis
Malaria
Tuberculosis
Measles
Herpes simplex infection
NetPath Pathway BCR Signaling Pathway
PANTHER Pathway Toll receptor signaling pathway
Reactome PI3K Cascade
Trafficking and processing of endosomal TLR
TRAF6 mediated IRF7 activation in TLR7/8 or 9 signaling
TRAF6 mediated induction of NFkB and MAP kinases upon TLR7/8 or 9 activation
MyD88 dependent cascade initiated on endosome
WikiPathways Toll-like receptor signaling pathway
Toll-Like Receptors Cascades
MyD88 dependent cascade initiated on endosome
Trafficking and processing of endosomal TLR
Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)
Regulation of toll-like receptor signaling pathway
References
Ref 523753ClinicalTrials.gov (NCT01506362) Efficacy, Pharmacodynamics, Safety and Tolerability of Oral BL-7040 in Patients With Moderately Active Ulcerative Colitis. U.S. National Institutes of Health.
Ref 533251Gut feeling: MicroRNA discriminators of the intestinal TLR9-cholinergic links. Int Immunopharmacol. 2015 May 20. pii: S1567-5769(15)00231-3.

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