Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0K8FI
|
|||
| Former ID |
DIB008108
|
|||
| Drug Name |
Pegmusirudin
|
|||
| Synonyms |
BSF-87981; LU-57291; LU-87981; Polyethylene glycol hirudin, Knoll; SPP-200; PEG-hirudin, Knoll
Click to Show/Hide
|
|||
| Indication | Angina pectoris [ICD-11: BA40; ICD-9: 413] | Phase 2 | [1] | |
| Company |
Knoll GmbH
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C299H462N84O115S6
|
|||
| Canonical SMILES |
CCC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC2C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)C(C)C)CC(=O)N)CO)CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C3CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3)CC(C)C)CC(=O)N)CCC(=O)N)CO)CCC(=O)O)C(C)O)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(C(C)C)N)C(=O)N1)CCCCNC(=O)OCCOCC)CC(=O)N)CCC(=O)O)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(C(C)O)C(=O)N5CCCC5C(=O)NC(CCCNC(=N)N)C(=O)N6CCCC6C(=O)NC(CCC(=O)N)C(=O)NC(CO)C(=O)NC(CC7=CN=CN7)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC8=CC=CC=C8)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)N9CCCC9C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)O)CCC(=O)N)CC(=O)N)CCCNC(=N)N)CCC(=O)O)CCCCNC(=O)OCCOCC)CO)CC(C)C
|
|||
| InChI |
1S/C299H462N84O115S6/c1-27-142(21)234-289(485)361-171(97-134(5)6)244(440)323-120-216(410)335-188(124-385)273(469)337-154(45-34-36-86-317-298(493)497-95-93-495-29-3)240(436)319-114-210(404)332-161(67-80-221(418)419)250(446)338-156(47-38-88-315-296(310)311)248(444)356-180(106-205(305)399)266(462)343-162(61-74-201(301)395)257(453)367-194(130-502-499-127-191-247(443)326-116-209(403)329-157(64-77-218(412)413)241(437)320-117-213(407)333-179(105-204(304)398)265(461)339-155(46-35-37-87-318-299(494)498-96-94-496-30-4)249(445)366-195(279(475)376-234)131-503-500-128-192(276(472)340-159(66-79-220(416)417)243(439)321-119-215(409)336-189(125-386)274(470)359-183(109-208(308)402)272(468)373-231(139(15)16)287(483)371-191)368-261(457)174(100-137(11)12)352-277(473)193-129-501-504-132-196(370-270(466)186(112-229(434)435)363-291(487)238(146(25)390)378-271(467)177(103-150-54-58-153(393)59-55-150)362-286(482)232(140(17)18)375-284(480)230(309)138(13)14)280(476)379-237(145(24)389)290(486)347-167(71-84-225(426)427)256(452)364-187(123-384)246(442)325-115-211(405)331-160(60-73-200(300)394)251(447)357-181(107-206(306)400)267(463)351-173(99-136(9)10)260(456)369-193)278(474)374-233(141(19)20)288(484)380-236(144(23)388)285(481)327-121-212(406)330-158(65-78-219(414)415)242(438)322-122-217(411)372-239(147(26)391)294(490)383-92-42-51-199(383)283(479)348-169(48-39-89-316-297(312)313)292(488)381-90-40-49-197(381)281(477)345-163(62-75-202(302)396)255(451)365-190(126-387)275(471)355-178(104-151-113-314-133-328-151)264(460)358-182(108-207(307)401)268(464)360-184(110-227(430)431)245(441)324-118-214(408)334-185(111-228(432)433)269(465)354-175(101-148-43-32-31-33-44-148)262(458)344-164(68-81-222(420)421)252(448)342-168(72-85-226(428)429)258(454)377-235(143(22)28-2)293(489)382-91-41-50-198(382)282(478)346-166(70-83-224(424)425)253(449)341-165(69-82-223(422)423)254(450)353-176(102-149-52-56-152(392)57-53-149)263(459)350-172(98-135(7)8)259(455)349-170(295(491)492)63-76-203(303)397/h31-33,43-44,52-59,113,133-147,154-199,230-239,384-393H,27-30,34-42,45-51,60-112,114-132,309H2,1-26H3,(H2,300,394)(H2,301,395)(H2,302,396)(H2,303,397)(H2,304,398)(H2,305,399)(H2,306,400)(H2,307,401)(H2,308,402)(H,314,328)(H,317,493)(H,318,494)(H,319,436)(H,320,437)(H,321,439)(H,322,438)(H,323,440)(H,324,441)(H,325,442)(H,326,443)(H,327,481)(H,329,403)(H,330,406)(H,331,405)(H,332,404)(H,333,407)(H,334,408)(H,335,410)(H,336,409)(H,337,469)(H,338,446)(H,339,461)(H,340,472)(H,341,449)(H,342,448)(H,343,462)(H,344,458)(H,345,477)(H,346,478)(H,347,486)(H,348,479)(H,349,455)(H,350,459)(H,351,463)(H,352,473)(H,353,450)(H,354,465)(H,355,471)(H,356,444)(H,357,447)(H,358,460)(H,359,470)(H,360,464)(H,361,485)(H,362,482)(H,363,487)(H,364,452)(H,365,451)(H,366,445)(H,367,453)(H,368,457)(H,369,456)(H,370,466)(H,371,483)(H,372,411)(H,373,468)(H,374,474)(H,375,480)(H,376,475)(H,377,454)(H,378,467)(H,379,476)(H,380,484)(H,412,413)(H,414,415)(H,416,417)(H,418,419)(H,420,421)(H,422,423)(H,424,425)(H,426,427)(H,428,429)(H,430,431)(H,432,433)(H,434,435)(H,491,492)(H4,310,311,315)(H4,312,313,316)/t142-,143-,144+,145+,146+,147+,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-,198-,199-,230-,231-,232-,233-,234-,235-,236-,237-,238-,239-/m0/s1
|
|||
| InChIKey |
MFPRYDMAZLLTGM-IJDGSQHYSA-N
|
|||
| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | ClinicalTrials.gov (NCT00074620) A Clinical Study to Assess the Safety of PEG-Hirudin (SPP200) Compared to Heparin in Patients Who Are on Haemodialysis. U.S. National Institutes of Health. | |||
| REF 2 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2362). | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.