Therapeutic Targets Database
BIDD Pharmainformatics Databases
 
   
   

 

TTD Drug ID: DAP001092

Drug Information
NameInsulin-aspart
SynonymsB28-Asp-insulin; NovoMix 30; Insulin aspart; LS-185932; NovoRapid 30 Mix; Insulin, Asp(B28)-; 139532-40-4; Aspart insulin; NovoRapid; INA-X 14; UNII-D933668QVX; Insulin (human), 28B-L-aspartic acid-; 28(sup B)-L-Aspartic acid-insulin (human); AspB28-insulin (human); Insulin X14; (AspB28)-human insulin; 1024611-56-0; 116094-23-6; NovoLog; Insulin aspart [USAN]; Aspart; Novolog mix 70/30; 877034-90-7; Insulin (ox), 8A-L-threonine-10A-L-isoleucine-28B-L-aspartic acid-30B-L-threonine-
IndicationDiabetes mellitus
[ICD9: 250   ICD10: E08-E13]
Approved    [1]
Structure

Click to save drug structure in 3D MOL format

Click to save drug structure in 2D MOL format
InChI1S/C157H232N40O44S2.C99H155N25O35S4/c1-77(2)54-102(180-130(214)84
(15)172-135(219)101(48-51-123(210)211)179-152(236)126(82(11)12)19
4-149(233)105(57-80(7)8)183-145(229)111(64-93-68-165-76-171-93)18
8-151(235)114(72-198)175-121(207)71-169-133(217)115(73-242)191-14
0(224)103(55-78(3)4)181-144(228)110(63-92-67-164-75-170-92)187-13
7(221)100(46-49-117(160)203)178-146(230)112(65-118(161)204)189-15
3(237)125(81(9)10)193-131(215)96(159)58-87-30-21-18-22-31-87)139(
223)184-108(61-90-38-42-94(201)43-39-90)142(226)182-104(56-79(5)6
)148(232)195-127(83(13)14)154(238)192-116(74-243)134(218)168-69-1
19(205)173-99(47-50-122(208)209)136(220)176-97(37-29-53-166-157(1
62)163)132(216)167-70-120(206)174-106(59-88-32-23-19-24-33-88)141
(225)185-107(60-89-34-25-20-26-35-89)143(227)186-109(62-91-40-44-
95(202)45-41-91)150(234)196-128(85(16)199)155(239)190-113(66-124(
212)213)147(231)177-98(36-27-28-52-158)138(222)197-129(86(17)200)
156(240)241;1-12-46(9)77(121-73(134)36-100)97(156)122-76(45(7)8)9
5(154)108-56(25-29-75(137)138)80(139)105-54(23-27-70(102)131)83(1
42)117-66(40-161)93(152)119-68(42-163)94(153)124-79(48(11)127)98(
157)116-64(38-126)90(149)123-78(47(10)13-2)96(155)120-67(41-162)9
2(151)115-63(37-125)89(148)110-58(31-44(5)6)85(144)111-59(32-49-1
4-18-51(128)19-15-49)86(145)106-53(22-26-69(101)130)81(140)109-57
(30-43(3)4)84(143)107-55(24-28-74(135)136)82(141)113-61(34-71(103
)132)88(147)112-60(33-50-16-20-52(129)21-17-50)87(146)118-65(39-1
60)91(150)114-62(99(158)159)35-72(104)133/h18-26,30-35,38-45,67-6
8,75-86,96-116,125-129,198-202,242-243H,27-29,36-37,46-66,69-74,1
58-159H2,1-17H3,(H2,160,203)(H2,161,204)(H,164,170)(H,165,171)(H,
167,216)(H,168,218)(H,169,217)(H,172,219)(H,173,205)(H,174,206)(H
,175,207)(H,176,220)(H,177,231)(H,178,230)(H,179,236)(H,180,214)(
H,181,228)(H,182,226)(H,183,229)(H,184,223)(H,185,225)(H,186,227)
(H,187,221)(H,188,235)(H,189,237)(H,190,239)(H,191,224)(H,192,238
)(H,193,215)(H,194,233)(H,195,232)(H,196,234)(H,197,222)(H,208,20
9)(H,210,211)(H,212,213)(H,240,241)(H4,162,163,166);14-21,43-48,5
3-68,76-79,125-129,160-163H,12-13,22-42,100H2,1-11H3,(H2,101,130)
(H2,102,131)(H2,103,132)(H2,104,133)(H,105,139)(H,106,145)(H,107,
143)(H,108,154)(H,109,140)(H,110,148)(H,111,144)(H,112,147)(H,113
,141)(H,114,150)(H,115,151)(H,116,157)(H,117,142)(H,118,146)(H,11
9,152)(H,120,155)(H,121,134)(H,122,156)(H,123,149)(H,124,153)(H,1
35,136)(H,137,138)(H,158,159)/t84-,85+,86+,96-,97-,98-,99-,100-,1
01-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,1
14-,115-,116-,125-,126-,127-,128-,129-;46-,47-,48+,53-,54-,55-,56
-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,76-,77-,78-,79-
/m00/s1
InChIKeyVOMXSOIBEJBQNF-UTTRGDHVSA-N
Canonical SMILESCCC(C)C(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CS)C(=O)
NC(CS)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(CS)C(=O)NC(CO)C(=
O)NC(CC(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=
O)NC(CCC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CS)C(=O)NC
(CC(=O)N)C(=O)O)NC(=O)CN.CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)
C(=O)NC(C(C)C)C(=O)NC(CS)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=
O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CC=C(C=C4)O)C
(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)O)NC(=O)C
(C)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC5=CN=CN5)NC(=
O)C(CO)NC(=O)CNC(=O)C(CS)NC(=O)C(CC(C)C)NC(=O)C(CC6=CN=CN6)NC(=O)C(CCC(=
O)N)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC7=CC=CC=C7)N    
Isomeric SMILESCC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]
(CCC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N
[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)
N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N
[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]
(CC2=CC=C(C=C2)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)CN.C
[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H]
(C)O)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)
[C@H](CC3=CC=CC=C3)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC
(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]
(CC4=CC=C(C=C4)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)
NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H]
(CO)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC6=CN=CN6)NC(=
O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC7=
CC=CC=C7)N)O
Therapeutic ClassHypoglycemic Agents
CAS NumberCAS 116094-23-6
FormulaC256H387N65O79S6
PubChem Compound IDCID 16132418.
PubChem Substance IDSID 3889428.
SuperDrug ATC IDA10AB05
A10AB05; A10AD05
TargetInsulin receptorBinder[2]
Ref 1Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77. Epub 2007 Feb 20. To Reference
Ref 2Comparison of insulin detemir and insulin glargine using a basal-bolus regimen in a randomized, controlled clinical study in patients with type 2 diabetes. Diabetes Metab Res Rev. 2009 Jun 29. [Epub ahead of print] To Reference



 

Welcome to sign our Guestbook.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhu.


Dr. Chen Yuzong
Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543