Details of the Drug

General Information of Drug (ID: DMX7V28)

Drug Name

Insulin-aspart

Synonyms

Aspart; NovoLog; NovoRapid; Aspart insulin; Insulin aspart; Insulin aspart [USAN]; Insulin X14; NovoMix 30; NovoRapid 30 Mix; INA-X 14; Novolog mix 70/30; AspB28-insulin (human); B28-Asp-insulin; (AspB28)-human insulin; 28(sup B)-L-Aspartic acid-insulin (human)

Indication

Disease Entry	ICD 11	Status	REF
Diabetic complication	5A2Y	Approved	[1]

Therapeutic Class

Hypoglycemic Agents

Drug Type

Small molecular drug

Sequence

>A chain
GIVEQCCTSICSLYQLENYCN
>B chain
FVNQHLCGSHLVEALYLVCGERGFFYTDKT

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 5

Molecular Weight (mw)

5826

Topological Polar Surface Area (xlogp)

-14.3

Rotatable Bond Count (rotbonds)

182

Hydrogen Bond Donor Count (hbonddonor)

80

Hydrogen Bond Acceptor Count (hbondacc)

91

ADMET Property

Clearance: The clearance of drug is 1.2 L/h/kg [2]
Half-life: The concentration or amount of drug in body reduced by one-half in 81 minutes [3]

Chemical Identifiers

Formula: C256H381N65O79S6
IUPAC Name: (4S)-4-[[2-[[(1R,6R,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42R,47R,50S,53S,56S,59S,62S,65S,68S,71S,74R,77S,80S,83S,88R)-88-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-6-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-methylpentanoyl]amino]-47-[[(1S)-3-amino-1-carboxy-3-oxopropyl]carbamoyl]-53-(2-amino-2-oxoethyl)-62-(3-amino-3-oxopropyl)-77-[(2S)-butan-2-yl]-24,56-bis(2-carboxyethyl)-83-[(1R)-1-hydroxyethyl]-12,71,80-tris(hydroxymethyl)-33,50,65-tris[(4-hydroxyphenyl)methyl]-15-(1H-imidazol-4-ylmethyl)-27-methyl-18,30,36,59,68-pentakis(2-methylpropyl)-7,10,13,16,19,22,25,28,31,34,37,40,49,52,55,58,61,64,67,70,73,76,79,82,85,87-hexacosaoxo-21,39-di(propan-2-yl)-3,4,44,45,90,91-hexathia-8,11,14,17,20,23,26,29,32,35,38,41,48,51,54,57,60,63,66,69,72,75,78,81,84,86-hexacosazabicyclo[72.11.7]dononacontane-42-carbonyl]amino]acetyl]amino]-5-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Canonical SMILES: CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)CC(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC(=O)N)C(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H]([C@@H](C)O)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)C(C)C)CC(C)C)CC8=CC=C(C=C8)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC9=CNC=N9)CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CNC=N2)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](CC2=CC=CC=C2)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)[C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN
InChI: InChI=1S/C256H381N65O79S6/c1-29-129(23)204(313-191(338)102-258)251(394)317-203(128(21)22)247(390)287-157(73-80-198(348)349)216(359)282-154(69-76-187(262)334)220(363)308-182-114-404-405-115-183-243(386)305-177(109-323)240(383)293-160(85-121(7)8)224(367)294-166(92-138-51-59-144(328)60-52-138)227(370)283-152(67-74-185(260)332)217(360)289-159(84-120(5)6)222(365)285-156(72-79-197(346)347)219(362)301-172(98-188(263)335)234(377)297-168(94-140-55-63-146(330)64-56-140)230(373)309-181(242(385)304-175(254(397)398)100-190(265)337)113-403-402-112-180(213(356)272-105-192(339)277-151(70-77-195(342)343)215(358)280-149(50-42-82-270-256(266)267)211(354)271-106-193(340)278-164(90-136-45-36-32-37-46-136)226(369)296-165(91-137-47-38-33-39-48-137)229(372)298-169(95-141-57-65-147(331)66-58-141)238(381)319-206(132(26)325)252(395)303-174(101-199(350)351)235(378)281-150(49-40-41-81-257)221(364)321-208(134(28)327)255(399)400)311-249(392)202(127(19)20)316-236(379)162(87-123(11)12)291-228(371)167(93-139-53-61-145(329)62-54-139)295-223(366)158(83-119(3)4)288-209(352)131(25)276-214(357)155(71-78-196(344)345)286-246(389)201(126(17)18)315-237(380)163(88-124(13)14)292-232(375)171(97-143-104-269-118-275-143)300-239(382)176(108-322)279-194(341)107-273-212(355)179(111-401-406-116-184(310-244(182)387)245(388)320-207(133(27)326)253(396)306-178(110-324)241(384)318-205(130(24)30-2)250(393)312-183)307-225(368)161(86-122(9)10)290-231(374)170(96-142-103-268-117-274-142)299-218(361)153(68-75-186(261)333)284-233(376)173(99-189(264)336)302-248(391)200(125(15)16)314-210(353)148(259)89-135-43-34-31-35-44-135/h31-39,43-48,51-66,103-104,117-134,148-184,200-208,322-331H,29-30,40-42,49-50,67-102,105-116,257-259H2,1-28H3,(H2,260,332)(H2,261,333)(H2,262,334)(H2,263,335)(H2,264,336)(H2,265,337)(H,268,274)(H,269,275)(H,271,354)(H,272,356)(H,273,355)(H,276,357)(H,277,339)(H,278,340)(H,279,341)(H,280,358)(H,281,378)(H,282,359)(H,283,370)(H,284,376)(H,285,365)(H,286,389)(H,287,390)(H,288,352)(H,289,360)(H,290,374)(H,291,371)(H,292,375)(H,293,383)(H,294,367)(H,295,366)(H,296,369)(H,297,377)(H,298,372)(H,299,361)(H,300,382)(H,301,362)(H,302,391)(H,303,395)(H,304,385)(H,305,386)(H,306,396)(H,307,368)(H,308,363)(H,309,373)(H,310,387)(H,311,392)(H,312,393)(H,313,338)(H,314,353)(H,315,380)(H,316,379)(H,317,394)(H,318,384)(H,319,381)(H,320,388)(H,321,364)(H,342,343)(H,344,345)(H,346,347)(H,348,349)(H,350,351)(H,397,398)(H,399,400)(H4,266,267,270)/t129-,130-,131-,132+,133+,134+,148-,149-,150-,151-,152-,153-,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-,200-,201-,202-,203-,204-,205-,206-,207-,208-/m0/s1
InChIKey: WEDIKSVWBUKTRA-WTKGVUNUSA-N

Cross-matching ID

PubChem CID: 118984445
CAS Number: 116094-23-6
TTD ID: D0I3LE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Insulin (INS)	TTZOPHG	INS_HUMAN	Modulator	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Diabetic complication

ICD Disease Classification

5A2Y

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Insulin (INS)	DTT	INS	6.70E-01	-0.12	-0.46

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Insulin-aspart (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Oxymetholone	DMFXUT8	Moderate	Increased risk of hypoglycemia by the combination of Insulin-aspart and Oxymetholone.	Aplastic anaemia [3A70]	[9]
Fenofibric acid	DMGO2MC	Moderate	Increased risk of hypoglycemia by the combination of Insulin-aspart and Fenofibric acid.	Cardiovascular disease [BA00-BE2Z]	[9]
Vilazodone	DM4LECQ	Moderate	Increased risk of hypoglycemia by the combination of Insulin-aspart and Vilazodone.	Depression [6A70-6A7Z]	[9]
Vortioxetine	DM6F1PU	Moderate	Increased risk of hypoglycemia by the combination of Insulin-aspart and Vortioxetine.	Depression [6A70-6A7Z]	[9]
TAK-491	DMCF6SX	Moderate	Increased risk of hypoglycemia by the combination of Insulin-aspart and TAK-491.	Hypertension [BA00-BA04]	[9]
Hydroxychloroquine	DMSIVND	Moderate	Increased risk of hypoglycemia by the combination of Insulin-aspart and Hydroxychloroquine.	Malaria [1F40-1F45]	[9]
Safinamide	DM0YWJC	Moderate	Increased risk of hypoglycemia by the combination of Insulin-aspart and Safinamide.	Parkinsonism [8A00]	[9]
Rasagiline	DM3WKQ4	Moderate	Increased risk of hypoglycemia by the combination of Insulin-aspart and Rasagiline.	Parkinsonism [8A00]	[9]
Choline salicylate	DM8P137	Moderate	Increased risk of hypoglycemia by the combination of Insulin-aspart and Choline salicylate.	Postoperative inflammation [1A00-CA43]	[9]
Salsalate	DM13P4C	Moderate	Increased risk of hypoglycemia by the combination of Insulin-aspart and Salsalate.	Rheumatoid arthritis [FA20]	[9]
Methyltestosterone	DMWLFGO	Moderate	Increased risk of hypoglycemia by the combination of Insulin-aspart and Methyltestosterone.	Solid tumour/cancer [2A00-2F9Z]	[9]
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⏷ Show the Full List of 11 DDI Information of This Drug

References

1	Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
2	An FDA phase I clinical trial of quinacrine sterilization (QS). Int J Gynaecol Obstet. 2003 Oct;83 Suppl 2:S45-9.
3	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
5	2005 approvals: Safety first. Nature Reviews Drug Discovery 5, 92-93 (February 2006).
6	Radium 223 dichloride for prostate cancer treatment. Drug Des Devel Ther. 2017 Sep 6;11:2643-2651.
7	Efficacy and safety of LY2963016 insulin glargine compared with insulin glargine (Lantus ) in patients with type 1 diabetes in a randomized controlled trial: the ELEMENT 1 study. Diabetes Obes Metab.2015 Aug;17(8):726-33.
8	Biosimilar insulins: a European perspective. Diabetes Obes Metab. 2015 May; 17(5): 445-451.
9	Asplund K, Wiholm BE, Lithner F "Glibenclamide-associated hypoglycaemia: a report on 57 cases." Diabetologia 24 (1983): 412-7. [PMID: 6411511]