Details of the Drug

General Information of Drug (ID: DMOA4VW)

Drug Name
Insulin-detemir
Synonyms
Insulin detemir; UNII-4FT78T86XV; 4FT78T86XV; NN-304; Levemir; Levemir Penfill; Levemir Insulin; Levemir Innolet; Levemir Flexpen; 169148-63-4; Insulin detemir [USAN:INN:BAN]; NN304; NN 304; CHEMBL2104391; INSULIN DETEMIR RECOMBINANT; 29B-(N6-Myristoyl-L-lysine)-30B-de-L-threonineinsulin (human); 29(sup B)-(N(sup 6)-Myristoyl-L-lysine)-30(sup B)-de-L-threonineinsulin (human); 29(sup B)-(N(sup 6)-(1-Oxotetradecyl)-L-lysine)-(1(sup A)-21(sup A)),(1(sup B)-29(sup B))-insulin (human); 270588-25-5
Indication
Disease Entry ICD 11 Status REF
Type-1/2 diabetes 5A10-5A11 Approved [1]
Therapeutic Class
Hypoglycemic Agents
Drug Type
Small molecular drug
Sequence
GIVEQCCTSICSLYQLENYCNFVNQHLCGSHLVEALYLVCGERGFFYTPK
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 5 Molecular Weight (mw) 5917
Logarithm of the Partition Coefficient (xlogp) -3.5
Rotatable Bond Count (rotbonds) 189
Hydrogen Bond Donor Count (hbonddonor) 76
Hydrogen Bond Acceptor Count (hbondacc) 87
ADMET Property
Half-life
The concentration or amount of drug in body reduced by one-half in 5 - 7 hours [2]
Vd
The volume of distribution (Vd) of drug is 0.1 L/kg []
Chemical Identifiers
Formula
C267H402N64O76S6
IUPAC Name
(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[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]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-6-(tetradecanoylamino)hexanoic acid
Canonical SMILES
CCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]5CSSC[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](NC(=O)[C@@H]6CSSC[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)N5)C(C)C)CC(C)C)CC7=CC=C(C=C7)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC8=CNC=N8)CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC9=CNC=N9)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](CC1=CC=CC=C1)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N6)[C@@H](C)CC)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)CO)CC(C)C)CC1=CC=C(C=C1)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(=O)N)C(=O)O
InChI
InChI=1S/C267H402N64O76S6/c1-29-32-33-34-35-36-37-38-39-40-50-64-204(347)280-95-52-51-61-170(265(404)405)298-256(395)197-63-54-97-331(197)264(403)220(147(28)336)330-248(387)182(110-154-71-79-160(340)80-72-154)309-240(379)178(106-150-59-48-43-49-60-150)307-237(376)177(105-149-57-46-42-47-58-149)289-207(350)120-282-223(362)162(62-53-96-281-267(276)277)291-227(366)163(84-91-209(352)353)288-206(349)119-283-225(364)192-126-409-410-127-193(252(391)314-187(266(406)407)115-203(275)346)319-241(380)181(109-153-69-77-159(339)78-70-153)308-245(384)185(113-201(273)344)312-231(370)168(86-93-211(356)357)295-233(372)172(99-134(6)7)300-229(368)164(81-88-198(270)341)293-238(377)179(107-151-65-73-157(337)74-66-151)305-235(374)173(100-135(8)9)304-250(389)189(123-333)315-253(392)195-129-412-411-128-194(318-232(371)166(83-90-200(272)343)292-228(367)169(87-94-212(358)359)297-258(397)216(142(22)23)327-262(401)217(143(24)30-2)323-205(348)116-268)254(393)320-196(255(394)329-219(146(27)335)263(402)316-190(124-334)251(390)328-218(144(25)31-3)261(400)322-195)130-413-408-125-191(317-236(375)174(101-136(10)11)301-242(381)183(111-155-117-278-131-285-155)310-230(369)165(82-89-199(271)342)294-244(383)186(114-202(274)345)313-259(398)213(139(16)17)324-222(361)161(269)104-148-55-44-41-45-56-148)224(363)284-121-208(351)290-188(122-332)249(388)311-184(112-156-118-279-132-286-156)243(382)303-176(103-138(14)15)247(386)325-214(140(18)19)257(396)296-167(85-92-210(354)355)226(365)287-145(26)221(360)299-171(98-133(4)5)234(373)306-180(108-152-67-75-158(338)76-68-152)239(378)302-175(102-137(12)13)246(385)326-215(141(20)21)260(399)321-192/h41-49,55-60,65-80,117-118,131-147,161-197,213-220,332-340H,29-40,50-54,61-64,81-116,119-130,268-269H2,1-28H3,(H2,270,341)(H2,271,342)(H2,272,343)(H2,273,344)(H2,274,345)(H2,275,346)(H,278,285)(H,279,286)(H,280,347)(H,282,362)(H,283,364)(H,284,363)(H,287,365)(H,288,349)(H,289,350)(H,290,351)(H,291,366)(H,292,367)(H,293,377)(H,294,383)(H,295,372)(H,296,396)(H,297,397)(H,298,395)(H,299,360)(H,300,368)(H,301,381)(H,302,378)(H,303,382)(H,304,389)(H,305,374)(H,306,373)(H,307,376)(H,308,384)(H,309,379)(H,310,369)(H,311,388)(H,312,370)(H,313,398)(H,314,391)(H,315,392)(H,316,402)(H,317,375)(H,318,371)(H,319,380)(H,320,393)(H,321,399)(H,322,400)(H,323,348)(H,324,361)(H,325,386)(H,326,385)(H,327,401)(H,328,390)(H,329,394)(H,330,387)(H,352,353)(H,354,355)(H,356,357)(H,358,359)(H,404,405)(H,406,407)(H4,276,277,281)/t143-,144-,145-,146+,147+,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-,213-,214-,215-,216-,217-,218-,219-,220-/m0/s1
InChIKey
UGOZVNFCFYTPAZ-IOXYNQHNSA-N
Cross-matching ID
PubChem CID
16137271
CAS Number
169148-63-4
TTD ID
D0QE5U

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Insulin (INS) TTZOPHG INS_HUMAN Modulator [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Type-1/2 diabetes
ICD Disease Classification 5A10-5A11
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) 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-detemir (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Oxymetholone DMFXUT8 Moderate Increased risk of hypoglycemia by the combination of Insulin-detemir and Oxymetholone. Aplastic anaemia [3A70] [4]
Fenofibric acid DMGO2MC Moderate Increased risk of hypoglycemia by the combination of Insulin-detemir and Fenofibric acid. Cardiovascular disease [BA00-BE2Z] [4]
Vilazodone DM4LECQ Moderate Increased risk of hypoglycemia by the combination of Insulin-detemir and Vilazodone. Depression [6A70-6A7Z] [4]
Vortioxetine DM6F1PU Moderate Increased risk of hypoglycemia by the combination of Insulin-detemir and Vortioxetine. Depression [6A70-6A7Z] [4]
TAK-491 DMCF6SX Moderate Increased risk of hypoglycemia by the combination of Insulin-detemir and TAK-491. Hypertension [BA00-BA04] [4]
Hydroxychloroquine DMSIVND Moderate Increased risk of hypoglycemia by the combination of Insulin-detemir and Hydroxychloroquine. Malaria [1F40-1F45] [4]
Safinamide DM0YWJC Moderate Increased risk of hypoglycemia by the combination of Insulin-detemir and Safinamide. Parkinsonism [8A00] [4]
Rasagiline DM3WKQ4 Moderate Increased risk of hypoglycemia by the combination of Insulin-detemir and Rasagiline. Parkinsonism [8A00] [4]
Choline salicylate DM8P137 Moderate Increased risk of hypoglycemia by the combination of Insulin-detemir and Choline salicylate. Postoperative inflammation [1A00-CA43] [4]
Salsalate DM13P4C Moderate Increased risk of hypoglycemia by the combination of Insulin-detemir and Salsalate. Rheumatoid arthritis [FA20] [4]
Methyltestosterone DMWLFGO Moderate Increased risk of hypoglycemia by the combination of Insulin-detemir and Methyltestosterone. Solid tumour/cancer [2A00-2F9Z] [4]
⏷ 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 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
4 Abad S, Moachon L, Blanche P, Bavoux F, Sicard D, Salmon-Ceron D "Possible interaction between glicazide, fluconazole and sulfamethoxazole resulting in severe hypoglycaemia." Br J Clin Pharmacol 52 (2001): 456-7. [PMID: 11678792]