Drug Information

Drug (ID: DG01580) and It's Reported Resistant Information
Name
MPI-0479605
Synonyms
MPI-0479605; 1246529-32-7; N6-Cyclohexyl-N2-(2-methyl-4-morpholinophenyl)-9H-purine-2,6-diamine; CHEMBL2047943; MPI0479605; MPI 0479605; 6-N-cyclohexyl-2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine; C22H29N7O; WITJ0018D; MPI-0479605 hydrochloride; GTPL9399; SCHEMBL2946927; US11208696, Example 1; BDBM532282; HMS3653P07; HMS3740O21; BCP27897; EX-A1092; WZB52932; 2574AH; BDBM50386816; MFCD28099811; ZINC68246140; AKOS026750424; AKOS027289040; CCG-268735; CS-4665; SB19447; NCGC00386327-02; NCGC00386327-03; AC-33011; DA-46740; HY-12660; B3706; FT-0699832; S7488; SW220076-1; A14290; n6-cyclohexyl-n2-(2-methyl-4-morpholino-phenyl)-9h-purine-2,6-diamine; N~-6~-cyclohexyl-N~2~-[2-methyl-4-(morpholin-4-yl)phenyl]-9H-purine-2,6-diamine; 9H- Purine- 2, 6- diamine, N6- cyclohexyl- N2- [2- methyl- 4- (4- morpholinyl) phenyl] -
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Structure
Target . NOUNIPROTAC [1]
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Formula
5
IsoSMILES
CC1=C(C=CC(=C1)N2CCOCC2)NC3=NC4=C(C(=N3)NC5CCCCC5)NC=N4
InChI
InChI=1S/C22H29N7O/c1-15-13-17(29-9-11-30-12-10-29)7-8-18(15)26-22-27-20-19(23-14-24-20)21(28-22)25-16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H3,23,24,25,26,27,28)
InChIKey
OVJBNYKNHXJGSA-UHFFFAOYSA-N
PubChem CID
46909588
Type(s) of Resistant Mechanism of This Drug
  UAPP: Unusual Activation of Pro-survival Pathway
Drug Resistance Data Categorized by Their Corresponding Diseases
ICD-02: Benign/in-situ/malignant neoplasm
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Colon cancer [ICD-11: 2B90]
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Drug Sensitivity Data Categorized by Their Corresponding Mechanisms
       Unusual Activation of Pro-survival Pathway (UAPP) Click to Show/Hide
Key Molecule: Catenin beta-1 (CTNNB1) [1]
Molecule Alteration IF-deletion
p.S45delS (c.133_135delTCT)
 Molecule Info 
Sensitive Disease Colon cancer [ICD-11: 2B90.1]
 Disease Info 
Experimental Note Revealed Based on the Cell Line Data
In Vitro Model HCT116 cells Colon Homo sapiens (Human) CVCL_0291
SW48 cells Colon Homo sapiens (Human) CVCL_1724
TOV-21G cells Ovary Homo sapiens (Human) CVCL_3613
HuTu80 cells Small intestine Homo sapiens (Human) CVCL_1301
TOV-112D cells Ovary Homo sapiens (Human) CVCL_3612
LS 174T cells Colon Homo sapiens (Human) CVCL_1384
A427 cells Lung Homo sapiens (Human) CVCL_1055
In Vivo Model Mouse xenograft model Mus musculus
Experiment for
Molecule Alteration		 Gene set analysis
Experiment for
Drug Resistance		 Cell proliferation assay
Mechanism Description The if-deletion p.S45delS (c.133_135delTCT) in gene CTNNB1 cause the sensitivity of MPI-0479605 by unusual activation of pro-survival pathway.
Colorectal cancer [ICD-11: 2B91]
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Drug Sensitivity Data Categorized by Their Corresponding Mechanisms
       Unusual Activation of Pro-survival Pathway (UAPP) Click to Show/Hide
Key Molecule: Catenin beta-1 (CTNNB1) [1]
Molecule Alteration Missense mutation
p.S45F (c.134C>T)
 Molecule Info 
Sensitive Disease Colorectal cancer [ICD-11: 2B91.1]
 Disease Info 
Experimental Note Revealed Based on the Cell Line Data
In Vitro Model HCT116 cells Colon Homo sapiens (Human) CVCL_0291
SW48 cells Colon Homo sapiens (Human) CVCL_1724
TOV-21G cells Ovary Homo sapiens (Human) CVCL_3613
HuTu80 cells Small intestine Homo sapiens (Human) CVCL_1301
TOV-112D cells Ovary Homo sapiens (Human) CVCL_3612
LS 174T cells Colon Homo sapiens (Human) CVCL_1384
A427 cells Lung Homo sapiens (Human) CVCL_1055
In Vivo Model Mouse xenograft model Mus musculus
Experiment for
Molecule Alteration		 Gene set analysis
Experiment for
Drug Resistance		 Cell proliferation assay
Mechanism Description The missense mutation p.S45F (c.134C>T) in gene CTNNB1 cause the sensitivity of MPI-0479605 by unusual activation of pro-survival pathway
Key Molecule: Catenin beta-1 (CTNNB1) [1]
Molecule Alteration Missense mutation
p.S33Y (c.98C>A)
 Molecule Info 
Sensitive Disease Colorectal cancer [ICD-11: 2B91.1]
 Disease Info 
Experimental Note Revealed Based on the Cell Line Data
In Vitro Model HCT116 cells Colon Homo sapiens (Human) CVCL_0291
SW48 cells Colon Homo sapiens (Human) CVCL_1724
TOV-21G cells Ovary Homo sapiens (Human) CVCL_3613
HuTu80 cells Small intestine Homo sapiens (Human) CVCL_1301
TOV-112D cells Ovary Homo sapiens (Human) CVCL_3612
LS 174T cells Colon Homo sapiens (Human) CVCL_1384
A427 cells Lung Homo sapiens (Human) CVCL_1055
In Vivo Model Mouse xenograft model Mus musculus
Experiment for
Molecule Alteration		 Gene set analysis
Experiment for
Drug Resistance		 Cell proliferation assay
Mechanism Description The missense mutation p.S33Y (c.98C>A) in gene CTNNB1 cause the sensitivity of MPI-0479605 by unusual activation of pro-survival pathway
Lung cancer [ICD-11: 2C25]
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Drug Sensitivity Data Categorized by Their Corresponding Mechanisms
       Unusual Activation of Pro-survival Pathway (UAPP) Click to Show/Hide
Key Molecule: Catenin beta-1 (CTNNB1) [1]
Molecule Alteration Missense mutation
p.T41A (c.121A>G)
 Molecule Info 
Sensitive Disease Lung adenocarcinoma [ICD-11: 2C25.0]
 Disease Info 
Experimental Note Revealed Based on the Cell Line Data
In Vitro Model HCT116 cells Colon Homo sapiens (Human) CVCL_0291
SW48 cells Colon Homo sapiens (Human) CVCL_1724
TOV-21G cells Ovary Homo sapiens (Human) CVCL_3613
HuTu80 cells Small intestine Homo sapiens (Human) CVCL_1301
TOV-112D cells Ovary Homo sapiens (Human) CVCL_3612
LS 174T cells Colon Homo sapiens (Human) CVCL_1384
A427 cells Lung Homo sapiens (Human) CVCL_1055
In Vivo Model Mouse xenograft model Mus musculus
Experiment for
Molecule Alteration		 Gene set analysis
Experiment for
Drug Resistance		 Cell proliferation assay
Mechanism Description The missense mutation p.T41A (c.121A>G) in gene CTNNB1 cause the sensitivity of MPI-0479605 by unusual activation of pro-survival pathway
References
Ref 1 TTK Inhibitors as a Targeted Therapy for CTNNB1 (Beta-catenin) Mutant CancersMol Cancer Ther. 2017 Nov;16(11):2609-2617. doi: 10.1158/1535-7163.MCT-17-0342. Epub 2017 Jul 27.

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