iGMDRD162

Canonical SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C

InChI: InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+

InChI Key: SHGAZHPCJJPHSC-YCNIQYBTSA-N

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Standard Name
CHEMBL
Pubchem CID
KEGG Drug ID
DRUGBANK ID
Drug Status
Drug Type
Standard NameAll-trans Retinoic Acid
CHEMBLCHEMBL38
Pubchem CID444795
KEGG Drug IDD00094
DRUGBANK IDDB00755
Drug StatusAlone
Drug TypeSmall Molecule

Drug Targets:

RARARARBRARG


Drug-model tissue-cancer distribution: Bubble Plot

BLOOtissue: BLOO cancer: BLOOD model num: 0BLOODtissue: BLOOD cancer: Acute Myeloid Leukemia (AML) model num: 5BLOODtissue: BLOOD cancer: Leukemia (LEUK) model num: 7HEAD_NECtissue: HEAD_NEC cancer: HEAD_NECK model num: 0HEAD_NECKtissue: HEAD_NECK cancer: Head and Neck Squamous Cell Carcinoma (HNSC) model num: 1

Drug-gene pathway enrichments

3kegg: Pathways in cancer - Homo sapiens (human)3reactome: Signal Transduction3kegg: Acute myeloid leukemia - Homo sapiens (human)3kegg: Transcriptional misregulation in cancer - Homo sapiens (human)2reactome: Metabolism of proteins2reactome: Transcriptional Regulation by TP532reactome: Generic Transcription Pathway2reactome: Post-translational protein modification2reactome: SUMO E3 ligases SUMOylate target proteins2reactome: Gene expression (Transcription)

Drug-gene GO enrichments

7CC: nucleus7CC: cytoplasm6CC: nucleoplasm6BP: positive regulation of transcription by RNA polymerase II6BP: negative regulation of cell proliferation5CC: cytosol4CC: PML body4MF: protein homodimerization activity4CC: nucleolus4MF: protein binding

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
8854 ALDH1A2 1
1050 CEBPA 1
2322 FLT3 2
4869 NPM1 3
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Gene in drug-gene network: Network Plot

cytochalasin.Bcytochalasin.BGW-405833GW-405833BIX01294BIX01294nakiterpiosinnakiterpiosinFedratinibFedratinibCompound 10b [PMID: 11504634]Compound 10b [PMID: 11504634]teniposideteniposideSCHEMBL2608041SCHEMBL2608041BRD7137BRD7137nutlin 3nutlin 3CEBPACEBPAPI-103PI-103neopeltolideneopeltolideBX-795BX-795BMS-536924BMS-536924quinoclaminequinoclamineceruleninceruleninSB225002SB225002bistramide Abistramide ABRD4132BRD4132NSC141540NSC141540(-)-gallocatechin-3-O-gallate(-)-gallocatechin-3-O-gallateNsc 632839Nsc 632839ML214ML214piperlonguminepiperlongumineNSC23766NSC23766PMLPMLselumetinib in BRAF mutant tumorsselumetinib in BRAF mutant tumorsQuizartinib (AC220)Quizartinib (AC220)SorafenibSorafenibMerck60Merck60Cyanoquinoline, 11Cyanoquinoline, 11SunitinibSunitinibgossypolgossypolpurmorphaminepurmorphaminePonatinibPonatinibbatimastatbatimastatLexibulinLexibulinMidostaurinMidostaurincurcumincurcuminFLT3FLT3ALDH1A2ALDH1A2PP-30PP-30kinetin ribosidekinetin ribosidetipifarnib-P2tipifarnib-P2DaunorubicinDaunorubicinSirolimusSirolimusNPM1NPM1All-trans Retinoic AcidAll-trans Retinoic Acid

Models in All-trans Retinoic Acid

Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
MUT(CEBPA) gene 19965647 BLOOD Acute Myeloid Leukemia (AML) All-trans Retinoic Acid sensitivity in vivo
ITD(FLT3) gene 19965647 BLOOD Acute Myeloid Leukemia (AML) All-trans Retinoic Acid resistance or unresponsive in vivo
MUT(NPM1 exon(s) 12) gene 19965647 BLOOD Acute Myeloid Leukemia (AML) All-trans Retinoic Acid resistance or unresponsive in vivo
MUT(NPM1 exon(s) 12) gene 19059939 BLOOD Acute Myeloid Leukemia (AML) All-trans Retinoic Acid sensitivity in vivo
MUT(NPM1 exon(s) 12) gene 21719597 BLOOD Acute Myeloid Leukemia (AML) All-trans Retinoic Acid sensitivity in vivo
FUS(PML-RARA) gene 8674046 BLOOD Leukemia (LEUK) All-trans Retinoic Acid sensitivity in vivo
FUS(PML-RARA) gene 11704842 BLOOD Leukemia (LEUK) All-trans Retinoic Acid sensitivity in vivo
D-MUT(PML B2) gene 23670176 BLOOD Leukemia (LEUK) All-trans Retinoic Acid resistance or unresponsive in vivo
FUS(PML-RARA)&SNV(PML A216V) gene 21613260 BLOOD Leukemia (LEUK) All-trans Retinoic Acid resistance or unresponsive in vivo
FUS(PML-RARA)&SNV(PML L218P) gene 21613260 BLOOD Leukemia (LEUK) All-trans Retinoic Acid resistance or unresponsive in vivo
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