10967/178 - QDB Compounds

QsarDB Repository

Karpavičienė, I.; Valiulienė, G.; Raškevičius, V.; Lebedytė, I.; Brukštus, A.; Kairys, V.; Navakauskienė, R.; Čikotienė, I. Synthesis and antiproliferative activity of α-branched α,β-unsaturated ketones in human hematological and solid cancer cell lines. Eur. J. Med. Chem. 2015, 98, 30–48.

62 compounds | Property NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]

IDNameNB4_pIC50Details
3aa(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-3-phenylpropyl acetate5.2366View
3ab(2E)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-3-phenylpropyl acetate5.1805View
3ba(2E)-2-[(2-fluorophenyl)methylidene]-3-(4-methoxyphenyl)-3-oxopropyl acetate5.0862View
3be(2E)-2-(2-ethylbutylidene)-3-(4-methoxyphenyl)-3-oxopropyl acetate5.0223View
3bf(2E)-2-(cyclohexylmethylidene)-3-(4-methoxyphenyl)-3-oxopropyl acetate4.6326View
3de(2E)-2-(2-ethylbutylidene)-3-(4-methoxyphenyl)-3-oxopropyl benzoate4.5719View
3df(2E)-2-(cyclohexylmethylidene)-3-(4-methoxyphenyl)-3-oxopropyl benzoate4.9914View
3dk(2E)-2-ethylidene-3-(4-methoxyphenyl)-3-oxopropyl benzoate4.7905View
3dl(2E)-2-[(2-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-3-oxopropyl benzoate5.1549View
3ea(3E)-3-[(2-fluorophenyl)methylidene]-4-(4-methoxyphenyl)-4-oxobutyl acetate4View
3eb(3E)-3-[(2,4-dichlorophenyl)methylidene]-4-(4-methoxyphenyl)-4-oxobutyl acetate4.4584View
3ee(3E)-3-(2-ethylbutylidene)-4-(4-methoxyphenyl)-4-oxobutyl acetate4.0405View
3ef(3E)-3-(cyclohexylmethylidene)-4-(4-methoxyphenyl)-4-oxobutyl acetate4View
3eh(3E)-4-(4-methoxyphenyl)-3-[(4-nitrophenyl)methylidene]-4-oxobutyl acetate4View
3ei(3E)-4-(4-methoxyphenyl)-4-oxo-3-[(pentafluorophenyl)methylidene]butyl acetate4.5452View
3el(3E)-3-[(2-chlorophenyl)methylidene]-4-(4-methoxyphenyl)-4-oxobutyl acetate4.2874View
3en(3E)-3-[(4-chlorophenyl)methylidene]-4-(4-methoxyphenyl)-4-oxobutyl acetate4.4401View
3fb(2R,4E)-4-[(2,4-dichlorophenyl)methylidene]-5-(4-methoxyphenyl)-5-oxopentan-2-yl acetate4.4342View
3ff(2R,4E)-4-(cyclohexylmethylidene)-5-(4-methoxyphenyl)-5-oxopentan-2-yl acetate4.4763View
3fi(2R,4E)-5-(4-methoxyphenyl)-5-oxo-4-[(pentafluorophenyl)methylidene]pentan-2-yl acetate4.3098View
3fn(2R,4E)-4-[(4-chlorophenyl)methylidene]-5-(4-methoxyphenyl)-5-oxopentan-2-yl acetate4.2076View
3gb(2E)-2-[(2,4-dichlorophenyl)methylidene]-1-(4-methoxyphenyl)-4-methylpentan-1-one4.8356View
3gh(2E)-1-(4-methoxyphenyl)-4-methyl-2-[(4-nitrophenyl)methylidene]pentan-1-one6.2218View
3gn(2E)-2-[(4-chlorophenyl)methylidene]-1-(4-methoxyphenyl)-4-methylpentan-1-one4.9172View
3go(2E)-1-(4-methoxyphenyl)-4-methyl-2-{[4-(trifluoromethyl)phenyl]methylidene}pentan-1-one4.8996View
3hb(2E)-2-(cyclohexylmethyl)-3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one4.3107View
3ho(2E)-2-(cyclohexylmethyl)-1-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one4.7399View
3ibN-[(2E)-2-[(2,4-dichlorophenyl)methylidene]-3-(4-methoxyphenyl)-3-oxopropyl]-N-methylbenzamide4.6198View
3ifN-[(2E)-2-(cyclohexylmethylidene)-3-(4-methoxyphenyl)-3-oxopropyl]-N-methylbenzamide4.4012View
4aa(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-3-phenylpropyl acetate5.0809View
4ab(2Z)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-3-phenylpropyl acetate4.8996View
4dl2-[(2-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-3-oxopropyl benzoate4.7447View
5ba(1S)-1-(2-fluorophenyl)-3-(4-methoxyphenyl)-2-methylidene-3-oxopropyl acetate5.0223View
5bb(1S)-1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-methylidene-3-oxopropyl acetate5.2676View
5be(3R)-4-ethyl-1-(4-methoxyphenyl)-2-methylidene-1-oxohexan-3-yl acetate4.9281View
5bf(1R)-1-cyclohexyl-3-(4-methoxyphenyl)-2-methylidene-3-oxopropyl acetate4.9788View
5bh(1R)-3-(4-methoxyphenyl)-2-methylidene-1-(4-nitrophenyl)-3-oxopropyl acetate4.9872View
5bi(1S)-3-(4-methoxyphenyl)-2-methylidene-3-oxo-1-(pentafluorophenyl)propyl acetate4.8996View
5ch(1R)-3-(2,4-dimethoxyphenyl)-2-methylidene-1-(4-nitrophenyl)-3-oxopropyl acetate5.301View
5cj(1R)-3-(2,4-dimethoxyphenyl)-2-methylidene-1-(2-nitrophenyl)-3-oxopropyl acetate5.0555View
5_da2-[(S)-(2-fluorophenyl)(hydroxy)methyl]-1-(4-methoxyphenyl)prop-2-en-1-one5.1612View
5da(1S)-1-(2-fluorophenyl)-3-(4-methoxyphenyl)-2-methylidene-3-oxopropyl benzoate4.8447View
5_db2-[(S)-(2,4-dichlorophenyl)(hydroxy)methyl]-1-(4-methoxyphenyl)prop-2-en-1-one4.5834View
5db(1S)-1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-methylidene-3-oxopropyl benzoate5.0132View
5de(3R)-4-ethyl-1-(4-methoxyphenyl)-2-methylidene-1-oxohexan-3-yl benzoate4.8861View
5df(1R)-1-cyclohexyl-3-(4-methoxyphenyl)-2-methylidene-3-oxopropyl benzoate5View
5_dh2-[(R)-hydroxy(4-nitrophenyl)methyl]-1-(4-methoxyphenyl)prop-2-en-1-one5.2676View
5dh(1R)-3-(4-methoxyphenyl)-2-methylidene-1-(4-nitrophenyl)-3-oxopropyl benzoate4.8794View
5di(1S)-3-(4-methoxyphenyl)-2-methylidene-3-oxo-1-(pentafluorophenyl)propyl benzoate4.8894View
5dj(1R)-3-(4-methoxyphenyl)-2-methylidene-1-(2-nitrophenyl)-3-oxopropyl benzoate4.8962View
5dk(2R)-4-(4-methoxyphenyl)-3-methylidene-4-oxobutan-2-yl benzoate4.8041View
5_dl2-[(S)-(2-chlorophenyl)(hydroxy)methyl]-1-(4-methoxyphenyl)prop-2-en-1-one5.0915View
5dl(1S)-1-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-methylidene-3-oxopropyl benzoate5.0706View
5dm(1R)-1-(2,4-dinitrophenyl)-3-(4-methoxyphenyl)-2-methylidene-3-oxopropyl benzoate5View
6ac(4E)-2-methylidene-4-[(4-methylphenyl)methylidene]-1,5-diphenylpentane-1,5-dione5.1192View
6ad4-[(1E)-2-[(E)-benzoyl]-4-methylidene-5-oxo-5-phenylpent-1-en-1-yl]phenyl benzoate5.0969View
6bd4-[(1E)-2-[(E)-4-methoxybenzoyl]-5-(4-methoxyphenyl)-4-methylidene-5-oxopent-1-en-1-yl]phenyl benzoate5.1739View
6bg(4E)-1,5-bis(4-methoxyphenyl)-2-methylidene-4-(phenylmethylidene)pentane-1,5-dione5.1308View
6dc(4E)-1,5-bis(4-methoxyphenyl)-2-methylidene-4-[(4-methylphenyl)methylidene]pentane-1,5-dione4.9431View
7aa(2E)-2-[(diethylamino)methyl]-1-(4-methoxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-one5.9208View
7ac(2E)-1-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)-3-(4-nitrophenyl)prop-2-en-1-one5.2518View
7bc(2E)-3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)prop-2-en-1-one5.0706View

Bibliography

  1. Karpavičienė, I.; Valiulienė, G.; Raškevičius, V.; Lebedytė, I.; Brukštus, A.; Kairys, V.; Navakauskienė, R.; Čikotienė, I. Synthesis and antiproliferative activity of α-branched α,β-unsaturated ketones in human hematological and solid cancer cell lines. European Journal of Medicinal Chemistry 2015, 98, 30–48. http://dx.doi.org/10.1016/j.ejmech.2015.05.012