Gefitinib
PubChem CID: 123631
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| Compound Synonyms | Gefitinib, 184475-35-2, Iressa, ZD1839, Irressat, N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine, gefitinib (zd1839), ZD 1839, ZD-1839, N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine, gefitinibum, CCRIS 9011, UNII-S65743JHBS, Gefitinib (GMP), MFCD04307832, NSC-759856, N-(3-Chloro-4-fluoro-phenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine, N-(3-chloro-4-fluorophenyl)-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-(4-morpholinyl)propoxy]-4-quinazolinamine, CHEMBL939, DTXCID6021034, NSC715055, NSC 759856, Gefitinib [USAN], NCGC00159455-02, GEFITINIB (MART.), GEFITINIB [MART.], 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], Iressa(TM), IRE, Iressa (TN), CAS-184475-35-2, SR-00000000262, Gefitinib [USAN:INN:BAN], Gefitini, Iressa, N-(3-Chloro-4-fluoro-phenyl)-7-methoxy-6-(3-morpholin-4 -ylpropoxy)quinazolin-4-amine, N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-4-quinazolinamine, Gefitinib (Standard), 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, Gefitinib - Bio-X trade mark, BDBM5447, cid_123631, GTPL4941, Gefitinib (JP18/USAN/INN), GEFITINIB [ORANGE BOOK], Gefitinib, >=98% (HPLC), L01XE02, BCPP000221, HMS2089B19, HMS3244M21, HMS3244M22, HMS3244N21, HMS3295A21, HMS3413H08, HMS3654A07, HMS3677H08, HMS3714A05, HMS3748E17, Pharmakon1600-01502274, BCP01365, YWB97640, Tox21_111683, HY-50895G, HY-50895R, NSC759856, NSC800105, s1025, STK621310, AKOS000280752, Tox21_111683_1, AB20814, AC-1556, BCP9000718, CCG-220642, CS-0124, DB00317, FG10816, KS-1204, NSC-715055, NSC-800105, SDCCGSBI-0634411.P005, 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, N-(3-chloro-4-fluoro-phenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine, NCGC00159455-03, NCGC00159455-04, NCGC00159455-05, NCGC00159455-06, NCGC00159455-08, NCGC00159455-09, NCGC00159455-14, BCB03_000781, BG164498, HY-50895, SMR002204119, SY002154, CS-0622782, G0546, NS00006312, SW199108-4, D01977, EN300-123024, G-4408, K00240, AB01273954-01, AB01273954-02, AB01273954-03, AB01273954_04, Q417824, 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 |
|---|---|
| Topological Polar Surface Area | 68.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 545.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00533, P04626, Q9UEE5, P53779, P54762, Q9HBH9, P45984, P12931, P06239, Q9H2G2, O94804, O43353, Q9UF33, O14976, P15735, P49674, Q3U3Q1, O94768, P35968, Q92887, n.a., P36888, P35916, P42685, O75914, Q00537, Q07002, O15530, O94921, Q16816, Q99755, Q9UK32, Q86YV6, P30291, Q86UX6, P07947, O00506, Q9NYL2, P43403, P78356, P22694, P51817, Q14289, Q9BRS2, P49761, P41240, Q8N752, P48730, P78368, Q9Y6M4, P07333, Q02763, Q9UKI8, Q86UE8, Q9UKE5, Q07912, P04629, Q16620, Q16288, P33981, P42681, P68400, P19784, Q9UIK4, O43293, Q9Y463, P27361, P28482, P49840, P49841, Q14164, P29597, Q06418, P45983, P53667, P53671, Q15831, P27448, Q02750, P36507, P46734, Q14680, Q9BUB5, Q2M2I8, P00519, Q13043, Q9P289, Q8TDX7, Q9UBE8, Q16539, Q15759, P53778, P08631, P08069, P06213, P14616, P42684, Q04771, Q9Y616, Q08881, P23458, O60674, P52333, P10721, O14730, Q9H0K1, Q96SB4, P78362, P36896, P27037, Q13705, Q9BYT3, Q13470, Q59H18, Q9BXA7, Q9NY57, P06241, Q9P2K8, Q9UM73, Q13131, P54646, Q8NFD2, Q16832, Q09013, P37023, Q8NI60, P31749, P31751, Q9Y243, Q6DT37, O95835, Q9NRM7, P29376, P07948, Q9Y6R4, Q99683, Q92918, Q9P286, Q00536, O60285, O14965, P16234, P09619, P42336, P11309, Q9P1W9, Q86V86, P17612, Q99640, Q8IVH8, Q96GD4, P30530, Q9NSY1, P51451, P36894, Q13873, P15056, Q8TDC3, Q8IU85, Q96NX5, O95819, Q9Y4K4, P49137, Q8IW41, Q9P0L2, Q7KZI7, Q96L34, P45985, P52564, Q12866, P08581, Q9UQM7, Q13554, Q13557, Q13555, Q16566, Q8N5S9, Q96RR4, P21127, Q9UQ88, Q9BWU1, P49336, P11799, P80192, Q02779, Q16584, Q5VT25, Q9Y5S2, Q13188, Q9Y6E0, O15146, Q15746, Q9H1R3, O14757, O14578, P49760, Q9HAZ1, Q9HCP0, P53355, O15075, Q8N568, Q9C098, Q8NEV4, Q8WXR4, Q9Y2H1, Q96PY6, P51955, Q6P3R8, Q9HC98, Q8TD19, Q13153, Q13177, O96013, Q08345, Q96D53, Q9UQB9, P51813, Q8IWQ3, Q06187, Q14012, P24941, Q00526, Q00535, P50613, P50750, Q9NQU5, Q9H093, P57059, Q9H3Y6, O75716, Q9NRP7, P43405, P42680, Q15569, P36897, P49759, P21709, P29317, P29320, P54764, P54756, Q15375, P29322, P37173, P35590, Q16512, Q16513, P53350, Q9H4B4, O00444, Q05655, Q02156, P24723, Q04759, P29323, P54753, P54760, P68370, Q16659, P31152, Q13164, Q8TD08, P16591, Q15139, Q9BZL6, O94806, Q13976, Q13237, P19525, Q05397, Q13882, P04049, P07949, Q13546, P07332, P11362, P21802, P22607, P22455, P09769, P17948, P08922, Q15418, Q15349, P51812, O75676, O75582, Q9UNQ0, P25779, P42338, O00329, P48736, P42345, P78527, P48729, P02545, P10636, O15296, P11473, Q9Y2K2, P11802, Q6ZN16, O96017, Q52WX2, Q8N4C8, Q15303, Q6PHR2, Q8WU08, Q8IVW4, O00238, O15111, O75460, O14920, P51617, P21860, P42679, Q99759, Q04912, P51956, O00750, Q9UBF8, P41743, O15264, Q15835, P51957, O76039, P23443, O75385, Q92630, O14936, Q14004, Q13523, Q92772, Q00532, O15197, O75747, Q12851, O95382, O43283, O75116, O95747, Q13464, Q9H422, P20794, Q13233, Q86Y07, Q12852, Q9Y2U5, Q9NYY3, Q15208, O60331, Q9UEW8, Q9UHD2, Q96BR1, Q9UPE1, Q9BQI3, P57058, Q8IYT8, Q9UPZ9, Q9Y2H9, Q9NWZ3, Q9UL54, Q9H2K8, Q9BX84, Q9NRH2, Q9BVS4, P57078, Q7L7X3, Q9H2X6, Q8TBX8, Q56UN5, P9WI81, Q8TDR2, Q13627, Q96Q40, Q8WTQ7, Q8NE63, Q13163, O14733, O43318, Q8NG66, Q86Z02, Q8IY84, Q32MK0, P32298, Q5S007, P0C1S8, P0C264, Q6XUX3, P62344, P61075, P25094, O00418, Q96RG2, Q05513, Q96KB5, Q9HBY8, P34947, O00311, Q9NR20, P05129, O43781, Q16644, Q96PF2, P06493, O75496, Q01538, Q9NUW8, Q00534, Q99986, Q8IV63, P56817, Q6JQN1, Q709F0, P49748, Q15067, O15254, Q9ULC5, P61160, P61158, Q86TW2, Q3MIX3, P55263, P25098, P54819, P07741, P10398, P11274, O43683, P49589, Q9NYV4, Q14839, P30085, P08574, P27707, Q9H773, Q92499, O00571, Q86XP3, P26196, Q15392, P31689, P18074, Q76MJ5, P38117, Q9NSD9, P22830, P41250, P04899, P43250, Q8IYD1, Q9BZE4, P30519, Q58FF8, Q9NSE4, Q13418, P12268, P31153, P33991, Q9NU22, Q7Z406, Q9H0A0, Q9P0J0, P16083, Q9NTK5, O60313, P22234, O00764, P30086, Q01813, P48426, Q6P5Z2, P22612, P54619, Q9UGJ0, P13861, P17252, P05771, P43686, P11216, P06737, Q6ZSR9, P61026, P51159, P20340, P62826, Q9Y572, Q9UHD8, P42285, P05141, P12236, Q14683, O95347, O75643, P08240, Q7RTN6, Q9P2R7, Q9Y2W1, P11388, Q02880, Q96S44, P49411, P54577, O95342, O15438, O15439, P0A0J7, P0DTD1, Q04206, P10275 |
| Iupac Name | N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine |
| Prediction Hob | 1.0 |
| Target Id | NPT285, NPT286, NPT1422, NPT2729, NPT3205, NPT36, NPT1478, NPT2572, NPT3370, NPT483, NPT51, NPT1676, NPT3207, NPT1659, NPT3315, NPT283, NPT3204, NPT3365, NPT3316, NPT3223, NPT1265, NPT3242, NPT13, NPT3111, NPT1701, NPT3266, NPT3290, NPT3381, NPT1427, NPT3386, NPT3312, NPT3213, NPT3366, NPT1680, NPT1675, NPT2573, NPT3439, NPT3425, NPT1706, NPT3109, NPT1435, NPT1434, NPT740, NPT3245, NPT3215, NPT1447, NPT713, NPT1028, NPT3221, NPT721 |
| Xlogp | 4.1 |
| Molecular Formula | C22H24ClFN4O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XGALLCVXEZPNRQ-UHFFFAOYSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -4.477 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.465 |
| Compound Name | Gefitinib |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 446.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 446.152 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 446.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.054077483870967 |
| 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) |
| Smiles | COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asarum Heterotropoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Asarum Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all