Drug Information

Drug (ID: DG01539) and It's Reported Resistant Information
Name
CUDC-101
Synonyms
CUDC-101; 1012054-59-9; CUDC 101; 7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide; CUDC101; UNII-1A7Y9MP123; 7-[[4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yl]oxy]-N-hydroxyheptanamide; CHEMBL598797; 1A7Y9MP123; 7-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide; 7-((4-((3-ethynylphenyl)amino)-7-methoxyquinazolin-6-yl)oxy)-N-hydroxyheptanamide; 7-((4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yl)oxy)-N-hydroxyheptanamide; 7-({4-[(3-ethynylphenyl)amino]-7-methoxyquinazolin-6-yl}oxy)-N-hydroxyheptanamide; CUDC-101, Free Base; SCHEMBL93769; MLS006010163; GTPL8894; AOB6495; DTXSID00143784; EX-A842; QCR-203; HMS3654C20; BCP01935; BDBM50307768; MFCD15528940; NSC800081; s1194; ZINC43196377; AKOS022526176; BCP9000556; CCG-264856; compound 8 [PMID: 20143778]; DB12174; NSC-800081; SB19287; NCGC00263177-01; NCGC00263177-05; NCGC00263177-12; 1313875-12-5; AC-28428; AS-16955; HY-10223; SMR004701272; FT-0665231; SW219934-1; X7526; J-000340; J-519062; Q27076925; Heptanamide, 7-[[4-[(3-ethynylphenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-N-hydroxy-
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Indication
In total 1 Indication(s)
Solid tumour/cancer [ICD-11: 2A00-2F9Z]
Phase 1
[1]
Structure
Target Epidermal growth factor receptor (EGFR) EGFR_HUMAN [1]
Click to Show/Hide the Molecular Information and External Link(s) of This Drug
Formula
12
IsoSMILES
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO
InChI
InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)
InChIKey
PLIVFNIUGLLCEK-UHFFFAOYSA-N
PubChem CID
24756910
DrugBank ID
DB12174
Type(s) of Resistant Mechanism of This Drug
  ADTT: Aberration of the Drug's Therapeutic Target
Drug Resistance Data Categorized by Their Corresponding Diseases
ICD-02: Benign/in-situ/malignant neoplasm
Click to Show/Hide the Resistance Disease of This Class
Lung cancer [ICD-11: 2C25]
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Drug Sensitivity Data Categorized by Their Corresponding Mechanisms
  Aberration of the Drug's Therapeutic Target (ADTT) Click to Show/Hide
Key Molecule: Epidermal growth factor receptor (EGFR) [1]
Sensitive Disease Lung adenocarcinoma [ICD-11: 2C25.0]
 Disease Info 
Molecule Alteration Missense mutation
p.T790M (c.2369C>T)
 Molecule Info 
Wild Type Structure Method: X-ray diffraction Resolution: 3.10  Å
PDB: 2J6M
Mutant Type Structure Method: X-ray diffraction Resolution: 3.05  Å
PDB: 2JIU
   Download The Information of Sequence       Download The Structure File   
RMSD: 1.57
TM score: 0.92063
Amino acid change:
T790M
 : Wild Type Structure
 : Mutant Type Structure
  Mutation site(s) have been marked in red
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700
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N
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710
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720
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730
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740
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750
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760
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770
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780
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790
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800
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810
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820
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830
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840
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850
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860
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870
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880
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890
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900
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910
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920
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930
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940
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950
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960
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970
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980
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990
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1000
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1010
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1020
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Click to Show/Hide the Structure
Experimental Note Revealed Based on the Cell Line Data
In Vivo Model Female athymic mouse xenograft model Mus musculus
Experiment for
Molecule Alteration		 Western blot analysis
Experiment for
Drug Resistance		 Perkin-Elmer ATPlite assay
Mechanism Description The missense mutation p.T790M (c.2369C>T) in gene EGFR cause the sensitivity of CUDC-101 by aberration of the drug's therapeutic target
References
Ref 1 CUDC-101, a multitargeted inhibitor of histone deacetylase, epidermal growth factor receptor, and human epidermal growth factor receptor 2, exerts potent anticancer activityCancer Res. 2010 May 1;70(9):3647-56. doi: 10.1158/0008-5472.CAN-09-3360. Epub 2010 Apr 13.

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