iGMDRD69

Canonical SMILES: CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6

InChI: InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)

InChI Key: XLXSAKCOAKORKW-UHFFFAOYSA-N

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Standard Name
CHEMBL
Pubchem CID
KEGG Drug ID
DRUGBANK ID
Drug Status
Drug targets (TTD)
Drug Type
Standard NameDirigestran
CHEMBLCHEMBL1981292
Pubchem CID36523
KEGG Drug IDD08027
DRUGBANK IDDB00644
Drug StatusAlone
Drug targets (TTD)DAP001052
Drug TypeSmall Molecule




Drug-model tissue-cancer distribution: Bubble Plot

OTHEtissue: OTHE cancer: OTHER model num: 0OTHERtissue: OTHER cancer: Cancer of Unknown Primary (CUP) model num: 1

Drug-gene pathway enrichments

1reactome: Metabolism of proteins1reactome: COPII-mediated vesicle transport1reactome: Membrane Trafficking1reactome: ER to Golgi Anterograde Transport1reactome: Asparagine N-linked glycosylation1reactome: Vesicle-mediated transport1reactome: Transport to the Golgi and subsequent modification1reactome: Post-translational protein modification1reactome: Cargo concentration in the ER1kegg: Colorectal cancer - Homo sapiens (human)

Drug-gene GO enrichments

2BP: positive regulation of cell proliferation2BP: epidermal growth factor receptor signaling pathway2CC: extracellular space1BP: mammary gland alveolus development1BP: epithelial cell proliferation involved in mammary gland duct elongation1BP: mammary gland branching involved in thelarche1BP: dichotomous subdivision of terminal units involved in mammary gland duct morphogenesis1BP: response to glucocorticoid1BP: response to cAMP1CC: Golgi membrane

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
374 AREG 1
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Gene in drug-gene network: Network Plot

Models in Dirigestran

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Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
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