iGMDRD778

Canonical SMILES: CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC

InChI: InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33?,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1

InChI Key: QFJCIRLUMZQUOT-DENUVPQMSA-N

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Standard Name
Pubchem CID
Drug Status
Drug Type
Standard NameSCHEMBL13586708
Pubchem CID73438900
Drug StatusAlone
Drug TypeSmall Molecule

Drug Targets:

MTOR

Drug Pathways:

PI3K/MTOR signaling

Drug-model tissue-cancer distribution: Bubble Plot

BLOOtissue: BLOO cancer: BLOOD model num: 0BLOODtissue: BLOOD cancer: undefined model num: 2BLOODtissue: BLOOD cancer: T-Cell Acute Lymphoid Leukemia (TALL) model num: 1undefinetissue: undefine cancer: undefined model num: 0undefinedtissue: undefined cancer: PANCAN model num: 9LYMPtissue: LYMP cancer: LYMPH model num: 0LYMPHtissue: LYMPH cancer: Diffuse Large B-Cell Lymphoma (DLBCL) model num: 1OTHEtissue: OTHE cancer: OTHER model num: 0OTHERtissue: OTHER cancer: Cancer of Unknown Primary (CUP) model num: 5LUNtissue: LUN cancer: LUNG model num: 0LUNGtissue: LUNG cancer: Non-Small Cell Lung Cancer (NSCLC) model num: 3LUNGtissue: LUNG cancer: Lung Cancer model num: 1BREAStissue: BREAS cancer: BREAST model num: 0BREASTtissue: BREAST cancer: Breast Carcinoma model num: 4SKItissue: SKI cancer: SKIN model num: 0SKINtissue: SKIN cancer: Cutaneous Squamous Cell Carcinoma (CSCC) model num: 1SKINtissue: SKIN cancer: Melanoma (MEL) model num: 1UTERUtissue: UTERU cancer: UTERUS model num: 0UTERUStissue: UTERUS cancer: Uterine Adenosquamous Carcinoma (UASC) model num: 1KIDNEtissue: KIDNE cancer: KIDNEY model num: 0KIDNEYtissue: KIDNEY cancer: Renal Clear Cell Carcinoma (CCRCC) model num: 6HEAD_NECtissue: HEAD_NEC cancer: HEAD_NECK model num: 0HEAD_NECKtissue: HEAD_NECK cancer: Peutz-Jeghers Syndrome model num: 2

Drug-gene pathway enrichments

17reactome: Signal Transduction13reactome: Gene expression (Transcription)13reactome: RNA Polymerase II Transcription13reactome: Generic Transcription Pathway11reactome: Signaling by Receptor Tyrosine Kinases10netpath: EGFR110reactome: Immune System9reactome: Disease9reactome: Intracellular signaling by second messengers9reactome: PIP3 activates AKT signaling

Drug-gene GO enrichments

19MF: protein tyrosine kinase activity19CC: cytosol17CC: cytoplasm17MF: protein binding15CC: nucleus12CC: plasma membrane11CC: nucleoplasm9CC: membrane8BP: positive regulation of protein kinase B signaling8MF: RNA polymerase II transcription factor activity, sequence-specific DNA binding

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
2475 MTOR 15
2176 FANCC 1
2064 ERBB2 2
23185 LARP4B 1
Showing 1 to 4 of 17 rows rows per page

Gene in drug-gene network: Network Plot

Models in SCHEMBL13586708

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Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
No matching records found

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