Drug Details

General Information of the Drug (ID: DR7735)
Name
Insulin
Synonyms
12584-58-6; DTXSID60154957; 8A-L-threonine-10A-L-isoleucine-Insulin
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Molecular Type
Small molecule
Disease Acute diabete complication [ICD-11: 5A2Y] Approved [1]
Structure
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2D MOL

3D MOL

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Formula
C256H381N65O76S6
PubChem CID
16131098
Canonical SMILES
CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(CSSCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(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)NC(CC(=O)N)C(=O)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC5=CC=CC=C5)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)NC(C(C)O)C(=O)N8CCCC8C(=O)NC(CCCCN)C(=O)NC(C)C(=O)O)C(C)C)CC(C)C)CC9=CC=C(C=C9)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC2=CN=CN2)CO)NC(=O)C(CC(C)C)NC(=O)C(CC2=CN=CN2)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)N)C(=O)NC(C(=O)NC(C(=O)N1)CO)C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)CN
InChI
1S/C256H381N65O76S6/c1-29-131(23)205(313-193(337)104-258)251(391)317-204(130(21)22)247(387)288-159(75-82-200(347)348)217(357)282-156(71-78-189(262)333)221(361)308-183-116-401-402-117-184-242(382)305-178(111-323)239(379)294-162(88-123(7)8)224(364)295-168(95-140-53-61-146(327)62-54-140)227(367)283-154(69-76-187(260)331)218(358)290-161(87-122(5)6)222(362)285-158(74-81-199(345)346)220(360)302-174(101-190(263)334)234(374)298-170(97-142-57-65-148(329)66-58-142)230(370)309-182(241(381)304-176(255(396)397)103-192(265)336)115-400-399-114-181(213(353)272-107-194(338)278-153(72-79-197(341)342)216(356)281-151(51-42-84-270-256(266)267)211(351)271-108-195(339)279-166(93-138-46-36-32-37-47-138)226(366)297-167(94-139-48-38-33-39-49-139)229(369)299-171(98-143-59-67-149(330)68-60-143)237(377)320-208(136(28)326)253(393)321-85-43-52-186(321)245(385)286-152(50-40-41-83-257)214(354)277-134(26)254(394)395)311-249(389)203(129(19)20)316-235(375)164(90-125(11)12)292-228(368)169(96-141-55-63-147(328)64-56-141)296-223(363)160(86-121(3)4)289-209(349)133(25)276-215(355)157(73-80-198(343)344)287-246(386)202(128(17)18)315-236(376)165(91-126(13)14)293-232(372)173(100-145-106-269-120-275-145)301-238(378)177(110-322)280-196(340)109-273-212(352)180(113-398-403-118-185(310-243(183)383)244(384)319-207(135(27)325)252(392)306-179(112-324)240(380)318-206(132(24)30-2)250(390)312-184)307-225(365)163(89-124(9)10)291-231(371)172(99-144-105-268-119-274-144)300-219(359)155(70-77-188(261)332)284-233(373)175(102-191(264)335)303-248(388)201(127(15)16)314-210(350)150(259)92-137-44-34-31-35-45-137/h31-39,44-49,53-68,105-106,119-136,150-186,201-208,322-330H,29-30,40-43,50-52,69-104,107-118,257-259H2,1-28H3,(H2,260,331)(H2,261,332)(H2,262,333)(H2,263,334)(H2,264,335)(H2,265,336)(H,268,274)(H,269,275)(H,271,351)(H,272,353)(H,273,352)(H,276,355)(H,277,354)(H,278,338)(H,279,339)(H,280,340)(H,281,356)(H,282,357)(H,283,367)(H,284,373)(H,285,362)(H,286,385)(H,287,386)(H,288,387)(H,289,349)(H,290,358)(H,291,371)(H,292,368)(H,293,372)(H,294,379)(H,295,364)(H,296,363)(H,297,366)(H,298,374)(H,299,369)(H,300,359)(H,301,378)(H,302,360)(H,303,388)(H,304,381)(H,305,382)(H,306,392)(H,307,365)(H,308,361)(H,309,370)(H,310,383)(H,311,389)(H,312,390)(H,313,337)(H,314,350)(H,315,376)(H,316,375)(H,317,391)(H,318,380)(H,319,384)(H,320,377)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,394,395)(H,396,397)(H4,266,267,270)/t131-,132-,133-,134-,135+,136+,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-,185-,186-,201-,202-,203-,204-,205-,206-,207-,208-/m0/s1
InChIKey
NOESYZHRGYRDHS-ZYCCASTOSA-N
CAS Number
CAS 12584-58-6
TTD Drug ID
D05ELO
DrugBank ID
DB00030
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Ferulic acid      Ferula sinkiangensisK     Click to Show/Hide the Molecular Data of This NP
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation		 Up-regulation Expression BAX  Molecule Info 
Pathway MAP
Down-regulation Activity COX-2  Molecule Info 
Pathway MAP
                    In-vivo Model Overnight fasted rats (Adult male Sprague-Dawley rats) were injected intra-peritoneally with strepto zotocin (55 mg/kg) dissolved in citrate buffer (pH 4.5, 0.1 M) to induce diabetes.
                    Experimental
                    Result(s)		 Diabetic rats treated with insulin-FA combination demonstrated more pronounced beneficial effects as compared to either agent alone.
Target and Pathway
Target(s) Insulin receptor (INSR)  Molecule Info  [3]
KEGG Pathway Ras signaling pathway Click to Show/Hide
2 Rap1 signaling pathway
3 cGMP-PKG signaling pathway
4 HIF-1 signaling pathway
5 FoxO signaling pathway
6 PI3K-Akt signaling pathway
7 AMPK signaling pathway
8 Adherens junction
9 Insulin signaling pathway
10 Ovarian steroidogenesis
11 Type II diabetes mellitus
12 Non-alcoholic fatty liver disease (NAFLD)
13 Aldosterone-regulated sodium reabsorption
NetPath Pathway TGF_beta_Receptor Signaling Pathway Click to Show/Hide
Panther Pathway Insulin/IGF pathway-mitogen activated protein kinase kinase/MAP kinase cascade Click to Show/Hide
2 Insulin/IGF pathway-protein kinase B signaling cascade
3 PI3 kinase pathway
Pathwhiz Pathway Insulin Signalling Click to Show/Hide
2 Leucine Stimulation on Insulin Signaling
Pathway Interaction Database Insulin Pathway Click to Show/Hide
2 Signaling events mediated by PTP1B
3 Signaling events mediated by TCPTP
4 Insulin-mediated glucose transport
Reactome IRS activation Click to Show/Hide
2 Signal attenuation
3 Insulin receptor signalling cascade
4 Insulin receptor recycling
WikiPathways DNA Damage Response (only ATM dependent) Click to Show/Hide
2 Insulin Signaling
3 Nanoparticle triggered autophagic cell death
4 AGE/RAGE pathway
5 Signaling by Insulin receptor
6 Folate Metabolism
7 Type II diabetes mellitus
8 Vitamin B12 Metabolism
9 Selenium Micronutrient Network
10 AMPK Signaling
References
Reference 1 Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
Reference 2 Beneficial effects of ferulic acid alone and in combination with insulin in streptozotocin induced diabetic neuropathy in Sprague Dawley rats. Life Sci. 2020 Aug 15;255:117856.
Reference 3 Acidic residues on the N-terminus of proinsulin C-Peptide are important for the folding of insulin precursor. J Biochem. 2002 Jun;131(6):855-9.
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