Drug Information

Drug (ID: DG01554) and It's Reported Resistant Information
Name
Mps1-IN-1
Synonyms
Mps1-IN-1; 1125593-20-5; 1-(4-(4-(2-(Isopropylsulfonyl)phenylamino)-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol; 1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]piperidin-4-ol; 1-(4-((4-((2-(isopropylsulfonyl)phenyl)amino)-1H-pyrrolo[2,3-b]pyridin-6-yl)amino)-3-methoxyphenyl)piperidin-4-ol; 1MPS1-IN-1; 3gfw; MLS003230944; GTPL9271; SCHEMBL4051419; CHEMBL1235786; BDBM36485; CHEBI:91379; DTXSID60649015; AVB59320; BCP27688; 3868AH; ZINC58661129; CS-3776; QC-8177; NCGC00387463-01; NCGC00387463-04; HY-13298; SMR001913509; A925638; J-503190; Q27087728; 1-(3-methoxy-4-{[4-({2-[(1-methylethyl)sulfonyl]phenyl}amino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino}phenyl)piperidin-4-ol; 1-[3-Methoxy-4-({4-[2-(propane-2-sulfonyl)anilino]-1H-pyrrolo[2,3-b]pyridin-6-yl}amino)phenyl]piperidin-4-ol; s22
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Structure
Target . NOUNIPROTAC [1]
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Formula
8
IsoSMILES
CC(C)S(=O)(=O)C1=CC=CC=C1NC2=CC(=NC3=C2C=CN3)NC4=C(C=C(C=C4)N5CCC(CC5)O)OC
InChI
InChI=1S/C28H33N5O4S/c1-18(2)38(35,36)26-7-5-4-6-23(26)30-24-17-27(32-28-21(24)10-13-29-28)31-22-9-8-19(16-25(22)37-3)33-14-11-20(34)12-15-33/h4-10,13,16-18,20,34H,11-12,14-15H2,1-3H3,(H3,29,30,31,32)
InChIKey
NMJMRSQTDLRCRQ-UHFFFAOYSA-N
PubChem CID
25195352
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 Mps1-IN-1 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 Mps1-IN-1 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 Mps1-IN-1 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 Mps1-IN-1 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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