iGMDRD633

Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CC(C7(C6CC(C(C7)OC(=O)C(=CCCC(C)(C=C)OC8C(C(C(C(O8)C)OC(=O)C(=CCCC(C)(C=C)O)CO)O)O)CO)(C)C)C(=O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)C)OC1C(C(C(O1)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)C)C)C)NC(=O)C)O)O)OC1C(C(C(CO1)O)O)O)O)O

InChI: InChI=1S/C98H155NO46/c1-16-93(11,127)26-18-20-45(34-101)81(125)139-75-41(4)132-87(73(122)69(75)118)145-94(12,17-2)27-19-21-44(33-100)80(124)137-57-32-98(90(126)144-89-79(68(117)62(111)50(36-103)135-89)143-86-74(123)77(141-85-72(121)66(115)61(110)49(35-102)133-85)76(42(5)131-86)140-84-71(120)63(112)51(37-104)134-84)47(30-91(57,7)8)46-22-23-54-95(13)28-25-56(92(9,10)53(95)24-29-96(54,14)97(46,15)31-55(98)107)138-82-58(99-43(6)105)65(114)64(113)52(136-82)39-129-88-78(67(116)59(108)40(3)130-88)142-83-70(119)60(109)48(106)38-128-83/h16-17,20-22,40-42,47-79,82-89,100-104,106-123,127H,1-2,18-19,23-39H2,3-15H3,(H,99,105)/b44-21+,45-20+/t40-,41-,42+,47+,48-,49-,50-,51+,52-,53+,54-,55-,56+,57+,58-,59+,60+,61-,62-,63+,64-,65-,66+,67+,68+,69-,70-,71-,72-,73-,74-,75-,76+,77+,78-,79-,82+,83+,84+,85+,86+,87+,88-,89+,93+,94+,95+,96-,97-,98-/m1/s1

InChI Key: HKEDBKXRDHFCFB-LUAQNYIXSA-N

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Standard Name
Pubchem CID
Drug Status
Drug Type
Standard NameAVICIN D
Pubchem CID44566800
Drug StatusAlone
Drug TypeSmall Molecule

Drug-model tissue-cancer distribution: Bubble Plot

undefinetissue: undefine cancer: undefined model num: 0undefinedtissue: undefined cancer: PANCAN model num: 5

Drug-gene pathway enrichments

2reactome: Signaling by ERBB22reactome: Signal Transduction2reactome: SHC1 events in ERBB2 signaling2reactome: Signaling by Receptor Tyrosine Kinases1reactome: RAF/MAP kinase cascade1reactome: MAPK family signaling cascades1reactome: Disease1reactome: Diseases of signal transduction1reactome: Constitutive Signaling by Aberrant PI3K in Cancer1reactome: PI3K/AKT Signaling in Cancer

Drug-gene GO enrichments

3CC: receptor complex3MF: protein tyrosine kinase activity2MF: protein binding2MF: neuregulin binding2MF: GTPase activity2BP: negative regulation of signal transduction2MF: growth factor binding2MF: transmembrane signaling receptor activity2MF: protein heterodimerization activity2CC: integral component of plasma membrane

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
57111 RAB25 1
2065 ERBB3 1
Showing 1 to 2 of 2 rows

Gene in drug-gene network: Network Plot

MEK inhibitorsMEK inhibitorsPertuzumabPertuzumabcytochalasin.Bcytochalasin.Blapatinib in HER2-amplifiedlapatinib in HER2-amplifiedAfatnibAfatnibSB225002SB225002BRD6368BRD6368LY 2183240LY 2183240avrainvillamideavrainvillamide(-)-gallocatechin-3-O-gallate(-)-gallocatechin-3-O-gallateoligomycin.Aoligomycin.ANsc 632839Nsc 632839pevonedistatpevonedistatPI3K pathway inhibitorsPI3K pathway inhibitorsBRD7137BRD7137ERBB3ERBB3RAB25RAB25AVICIN DAVICIN D

Models in AVICIN D

Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
EXP(ECADHERIN) protein MCLP undefined PANCAN avicin.D sensitivity in vitro
EXP(HER3) protein MCLP undefined PANCAN avicin.D sensitivity in vitro
EXP(PKCALPHA) protein MCLP undefined PANCAN avicin.D resistance in vitro
EXP(PKCALPHA_pS657) protein MCLP undefined PANCAN avicin.D resistance in vitro
EXP(RAB25) protein MCLP undefined PANCAN avicin.D sensitivity in vitro
Showing 1 to 5 of 5 rows

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