iGMDRD70


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

Loading, please wait...
Standard Name
CHEMBL
Pubchem CID
KEGG Drug ID
DRUGBANK ID
Drug Status
Drug targets (TTD)
Drug Type
Standard NameLHRH analogues or antagonist
Pubchem CID36523
KEGG Drug IDD08027
DRUGBANK IDDB00644
Drug StatusAlone
Drug targets (TTD)DAP001052
Drug TypeSmall Molecule




Drug-model tissue-cancer distribution: Bubble Plot

BREAStissue: BREAS cancer: BREAST model num: 0BREASTtissue: BREAST cancer: Invasive Breast Carcinoma (BRCA) model num: 1PROSTATtissue: PROSTAT cancer: PROSTATE model num: 0PROSTATEtissue: PROSTATE cancer: Prostate Adenocarcinoma (PRAD) model num: 1

Drug-gene pathway enrichments

Drug-gene GO enrichments

Drug-Gene: Aster Plot


Loading, please wait...
Gene ID
Gene Name
Model Num.
2064 ERBB2 1
2099 ESR1 1
7704 ZBTB16 1
Showing 1 to 3 of 3 rows

Gene in drug-gene network: Network Plot

Models in LHRH analogues or antagonist

Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
EXP(ERBB2)&OEXP(ESR1) gene FDA BREAST Invasive Breast Carcinoma (BRCA) LHRH analogues or antagonist sensitivity in vivo
UEXP(ZBTB16) gene 16637071 PROSTATE Prostate Adenocarcinoma (PRAD) LHRH analogues or antagonist resistance in vivo
Showing 1 to 2 of 2 rows

​​​​