Drug Information
General Information of This Drug
| Drug ID | DRG00410 | |||||
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| Drug Name | Gefitinib | |||||
| Synonyms |
Gefitinib; 184475-35-2; Iressa; ZD1839; Irressat; N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine; ZD 1839; ZD-1839; gefitinib (zd1839); N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine; gefitinibum; CCRIS 9011; UNII-S65743JHBS; Gefitinib (GMP); NSC-759856; N-(3-Chloro-4-fluoro-phenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine; S65743JHBS; DTXSID8041034; CHEBI:49668; 4-(3'-Chloro-4'-fluoroanilino)-7-methoxy-6-(3-morpholinopropoxy)quinazoline; N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine; MFCD04307832; CHEMBL939; N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine; DTXCID6021034; NSC715055; NSC 759856; Gefitinib [USAN]; NCGC00159455-02; GEFITINIB (MART.); GEFITINIB [MART.]; N-(3-chloro-4-fluoro-phenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine; 3-Chloro-4-Fluoro-N-[(4z)-7-Methoxy-6-(3-Morpholin-4-Ylpropoxy)quinazolin-4(1h)-Ylidene]aniline; C22H24ClFN4O3; GEFITINIB (EP MONOGRAPH); GEFITINIB [EP MONOGRAPH]; 4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-; Iressa(TM); IRE; Iressa (TN); CAS-184475-35-2; SR-00000000262; Gefitinib (JAN/USAN/INN); Gefitinib [USAN:INN:BAN]; Gefitini; Iressa; 4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-; N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-4-quinazolinamine; Iressa (AstraZeneca); nchembio866-comp14; Kinome_3321; Kinome_3322; GEFITINIB [INN]; GEFITINIB [JAN]; GEFITINIB [MI]; GEFITINIB [VANDF]; Gefitinib (ZD1839)?; GEFITINIB [WHO-DD]; SCHEMBL7866; Gefitinib,ZD-1839,Iressa; GEFITINIB [EMA EPAR]; KBioSS_002241; MLS003899193; CU-00000000396-1; BDBM5447; cid_123631; GTPL4941; GEFITINIB [ORANGE BOOK]; Gefitinib, >=98% (HPLC); L01XE02; BCPP000221; HMS2089B19; HMS3244M21; HMS3244M22; HMS3244N21; HMS3295A21; HMS3413H08; HMS3654A07; HMS3677H08; HMS3714A05; HMS3748E17; Pharmakon1600-01502274; BCP01365; Tox21_111683; HY-50895G; NSC759856; NSC800105; s1025; STK621310; AKOS000280752; Tox21_111683_1; AB20814; AC-1556; BCP9000718; CCG-220642; CS-0124; DB00317; KS-1204; NSC-715055; NSC-800105; 4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-(3-morpholinopropoxy)quinazoline; 4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-4-morpholin)propoxy)-; 6-(3-morpholinopropoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine; NCGC00159455-03; NCGC00159455-04; NCGC00159455-05; NCGC00159455-06; NCGC00159455-08; NCGC00159455-09; NCGC00159455-14; BCB03_000781; BG164498; HY-50895; SMR002204119; SY002154; AM20090619; CS-0622782; G0546; NS00006312; SW199108-4; D01977; EN300-123024; G-4408; K00240; AB01273954-01; AB01273954-02; AB01273954-03; AB01273954_04; A812870; Q417824; Q-201149; SR-00000000262-2; SR-00000000262-3; BRD-K64052750-001-16-7; BRD-K64052750-001-17-5; BRD-K64052750-001-22-5; BRD-K64052750-001-23-3; Gefitinib, EuropePharmacopoeia (EP) Reference Standard; Z1546610485; 4-(3'-chloro-4'-fluoroanilino)-7-methoxy-6-(3-morpholinopropoxy)-quinazoline; Gefitinib for system suitability, EuropePharmacopoeia (EP) Reference Standard; (3-CHLORO-4-FLUORO-PHENYL)-[7-METHOXY-6-(3-MORPHOLIN-4-YL-PROPOXY)-QUINAZOLIN-4-YL]-AMINE
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| Target(s) | Epidermal growth factor receptor (EGFR) | Target Info | ||||
| Structure |
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| Formula |
C22H24ClFN4O3
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| #Ro5 Violations (Lipinski): 0 | Molecular Weight (mw) | 446.9 | ||||
| Lipid-water partition coefficient (xlogp) | 4.1 | |||||
| Hydrogen Bond Donor Count (hbonddonor) | 1 | |||||
| Hydrogen Bond Acceptor Count (hbondacc) | 8 | |||||
| Rotatable Bond Count (rotbonds) | 8 | |||||
| PubChem CID | ||||||
| Canonical smiles |
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4
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| InChI |
InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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| InChIKey |
XGALLCVXEZPNRQ-UHFFFAOYSA-N
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| IUPAC Name |
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
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Each Peptide-drug Conjugate Related to This Drug
