iGMDRD17

Canonical SMILES: CC1=C(N=CN1)CSCCNC(=NC)NC#N

InChI: InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)

InChI Key: AQIXAKUUQRKLND-UHFFFAOYSA-N

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Standard Name
CHEMBL
Pubchem CID
KEGG Drug ID
DRUGBANK ID
Drug Status
Drug targets (TTD)
Drug Type
Standard NameCimetidine
CHEMBLCHEMBL30
Pubchem CID2756
KEGG Drug IDD03503
DRUGBANK IDDB00501
Drug StatusAlone
Drug targets (TTD)DAP000338
Drug TypeSmall Molecule

Drug Class:

Acid ReducersAdjuvantsAlimentary Tract and MetabolismAmidinesAndrogen AntagonistsAnti-Ulcer AgentsAntiandrogensAzolesChemically-Induced DisordersCytochrome P-450 CYP1A2 InhibitorsCytochrome P-450 CYP1A2 Inhibitors (weak)Cytochrome P-450 CYP2D6 InhibitorsCytochrome P-450 CYP2D6 Inhibitors (moderate)Cytochrome P-450 CYP2D6 Inhibitors (weak)Cytochrome P-450 CYP3A InhibitorsCytochrome P-450 CYP3A4 InhibitorsCytochrome P-450 CYP3A4 Inhibitors (weak)Cytochrome P-450 CYP3A5 InhibitorsCytochrome P-450 CYP3A5 Inhibitors (moderate)Cytochrome P-450 CYP3A7 InhibitorsCytochrome P-450 CYP3A7 Inhibitors (moderate)Cytochrome P-450 Enzyme InhibitorsDrug-Related Side Effects and Adverse ReactionsDrugs for Acid Related DisordersDrugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord)Enzyme InhibitorsGastrointestinal AgentsGuanidinesHeterocyclic CompoundsHeterocyclic Compounds, 1-RingHistamine AgentsHistamine AntagonistsHistamine H2 AntagonistsImidazolesMetabolic Side Effects of Drugs and SubstancesNeurotransmitter AgentsOAT1 SubstratesOAT3 SubstratesOCT2 SubstratesP-glycoprotein/ABCB1 Substrates

Drug Targets:

HRH2 (P25021)


Drug-model tissue-cancer distribution: Bubble Plot

BREAStissue: BREAS cancer: BREAST model num: 0BREASTtissue: BREAST cancer: undefined model num: 1

Drug-gene pathway enrichments

1reactome: Interferon Signaling1reactome: Interferon alpha/beta signaling1reactome: Immune System1reactome: Cytokine Signaling in Immune system

Drug-gene GO enrichments

2BP: apoptotic signaling pathway2BP: activation of cysteine-type endopeptidase activity involved in apoptotic process2CC: mitochondrion1CC: nuclear inner membrane1CC: mitochondrial outer membrane1CC: integral component of membrane1BP: regulation of protein export from nucleus1MF: molecular_function1MF: lamin binding1BP: negative regulation of transcription by RNA polymerase II

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
3429 IFI27 1
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Gene in drug-gene network: Network Plot

GSK-1904529AGSK-1904529AX681640X681640CIL55ACIL55AI-BET151I-BET151CAY-10594CAY-10594docetaxel in KRAS mutantdocetaxel in KRAS mutantnarciclasinenarciclasineNSC74859NSC74859canertinibcanertinibJQ1 CompoundJQ1 CompoundVX-680VX-680GSK 525762AGSK 525762AEpigallocatechin-3-monogallateEpigallocatechin-3-monogallateBosutinibBosutinibKU-55933KU-55933NVP-BSK805NVP-BSK805BRD-K29086754BRD-K29086754ML320ML320IFI27IFI27cimetidinecimetidine

Models in Cimetidine

Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
EXP(P27) protein MCLP BREAST undefined cimetidine sensitivity in vitro
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Disclaimer: iGMDR is intended for research purposes only. Its information cannot be used for emergencies or medical or professional advice.