 |
| Ligand Name: Afatinib |
| Ligand Type: peptide-like |
| Ligand ID: COVPDB49 |
PubChem:
10184653
|
Synonym(s):
- 439081-18-2
- 850140-72-6
- bibw2992
- tovok
- tomtovok
- bibw 2992
- bibw-2992
- afatinib (bibw2992)
- (s,e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide
- afatinib free base
- n-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3s)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide
- unii-41ud74l59m
- c24h25clfn5o3
- (2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3s)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
- chembl1173655
- chebi:61390
- 41ud74l59m
- 850140-72-6 (free base)
- s1011
- (2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3s)-oxolan-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
- (s,e)-n-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide
- (s)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide
- (e)-n-[4-(3-chloro-4-fluoroanilino)-7-[(3s)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide
- (s,e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide.
- 2-butenamide, n-(4-((3-chloro-4-fluorophenyl)amino)-7-(((3s)-tetrahydro-3-furanyl)oxy)-6-quinazolinyl)-4-(dimethylamino)-, (2e)-
- afatinib [usan:inn]
- afatinibum
- mfcd12407405
- (e)-4-dimethylamino-but-2-enoic acid-(4-(3-chloro-4-fluoro-phenylamino)-7-((s)-tetrahydrofuran-3-yloxy)-quinazolin-6-yl)-amide
- (e)-4-dimethylamino-but-2-enoic acid-[4-(3-chloro-4-fluoro-phenylamino)-7-((s)-tetrahydrofuran-3-yloxy)-quinazolin-6-yl]-amide
- 2-butenamide, n-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3s)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-, (2e)-
- afatinib, free base
- bibw2992,afatinib
- pubchem22403
- afatinib (usan/inn)
- bibw2992 - afatinib
- tovok|||bibw 2992
- (2e)-n-(4-(3-chloro-4-fluoroanilino)-7-(((3s)-oxolan-3-yl)oxy)quinoxazolin-6-yl)-4-(dimethylamino)but-2-enamide
- cc-109
- mls006010000
- gtpl5667
- chebi:94698
- dtxsid20893451
- ex-a065
- qcr-169
- bcpp000338
- aob87785
- bcp01779
- zinc3976838
- bibw2992/tovok,bibw-2992
- 3123ac
- abp000859
- bdbm50322823
- nsc750691
- nsc799327
- afatinib(cis-trans isomerismtautomers)
- akos015850681
- akos015904219
- akos025149636
- bcp9000407
- ccg-264776
- db08916
- ex-8656
- nsc-750691
- nsc-799327
- pb28439
- ncgc00185000-01
- (2e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-(((3s)-tetrahydro-3-furanyl)oxy)-6-quinazolinyl)-4-(dimethylamino)-2-butenamide
- ac-26079
- ac-27018
- am808098
- ds-14172
- smr004701084
- ab0033685
- sw219248-1
- x7366
- a15572
- d09724
- q-3651
- ab01565886_02
- 081b182
- sr-01000941576
- j-500781
- j-502300
- q4688818
- sr-01000941576-1
- brd-k66175015-001-01-7
- (2e)-n-[4-(3-chloro-4-fluoroanilino)-7-[[(3s)-oxolane-3-yl]oxy]quinazoline-6-yl]-4-(dimethylamino)-2-buteneamide
- (e)-4-dimethylamino-but-2-enoic acid-(4-(3-chloro-4-fluoro-phenylamino)-7-((s)-tetrahydrofuran-3-yloxy)-quinazolin-6yl)-amide
- (r,e)-n-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide
- (s)-n-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide
- n-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3''s'')-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4(dimethylamino)-2-butenamide"]
show 91 synonym(s)
|
| DrugBank: DB08916 |
ChEMBL: CHEMBL1173655 |
| Canonical SMILES: CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |
| Standard InChI: InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1 |
| Molecular Formula: C24H25ClFN5O3 |
Mol. Weight: 485.163 |
logP: 4.3899 |
| HBD: 2 | HBA: 7 |
| #Rotatable Bonds: 8 | TPSA: 88.61 |