Compound,SMILES,Name,ENAMINE® ID,Molecular Formula,LogP_calculated,Molecular Weight,Exact Mass_calculated,MS [M+H]+,Purity [%],IC50_ABCB1 [uM],IC50_ABCB1 [uM],IC50_ABCB1 [uM],IC50_ABCB1 [uM],IC50_ABCG2 [uM],IC50_ABCB1 [uM]
11,CC1=C(SC=2N=CC=C(C)C12)C(=O)N3CCN(CC3)C(=O)C=4NN=C5C=CC=CC45,"3-(4-{3,4-dimethylthieno[2,3-b]pyridine-2-carbonyl}piperazine-1-carbonyl)-2H-indazole",Z1001807112,C22H21N5O2S,2.52,419.50,419.14,420.0,100,n. d.,n. t.,n. d.,n. t.,20.3 ± 0.2,n. t.
12,CCCC1=NC(=NO1)C(C)(C)NS(=O)(=O)C=2C(C)=CC=C3N=CC=CC23,"6-methyl-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]quinoline-5-sulfonamide",Z1137670336,C18H22N4O3S,2.82,374.46,374.14,375.0,100,n. d.,n. t.,n. d.,n. t.,n. d.,n. t.
13,CC1=NSC(=N1)N2CCCN(CC=3C=C4C=CC=CC4=NC3N5CCOCC5)CC2,"3-{[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]methyl}-2-(morpholin-4-yl)quinoline",Z1569466770,C22H28N6OS,2.59,424.57,424.20,425.2,100,10.9 ± 1.2 ,n. t.,n. d.,n. t.,18.6 ± 5.2,n. t.
14,CC1=C(SC=2N=CC=C(C)C12)C(=O)NC=3C=CC(=CC3)S(=O)(=O)NC4=NN=CS4,"3,4-dimethyl-N-{4-[(1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}thieno[2,3-b]pyridine-2-carboxamide",Z1619753040,C18H15N5O3S3,3.06,445.53,445.03,446.0,98,n. d.,n. t.,n. d.,n. t.,n. d.,n. t.
15,COC=1C=C(C=C(OC)C1OC)C2=NOC(COC=3C=C(C)N=C4C=CC=C(C)C34)=N2,"2,5-dimethyl-4-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy}quinoline",Z1815536867,C23H23N3O5,3.29,421.45,421.16,422.2,96,8.59 ± 0.57,13.1 ± 1.5,11.0 ± 0.4,16.7 ± 4.8,1.31 ± 0.17,0.600 ± 0.050
16,CC=1C=C(N=C2C=CC=CC12)C3=NOC(CNS(=O)(=O)C4=CC=C(Cl)S4)=N3,"5-chloro-N-{[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}thiophene-2-sulfonamide",Z1890912753,C17H13ClN4O3S2,3.75,420.89,420.01,421.0,100,17.0 ± 2.0,n. t.,n. d.,n. t.,10.3 ± 0.8,n. t.
17,CC1=NN(C)C(Cl)=C1CC2=NOC(=N2)C=3SC=4N=C(C=CC4C3C)C(F)(F)F,"3-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-5-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-1,2,4-oxadiazole",Z1891639106,C17H13ClF3N5OS,3.72,427.83,427.05,428.0,98,14.5 ± 1.5,n. t.,n. d.,n. t.,7.33 ± 0.75,n. t.
18,CC(C)C=1C=CC=2N=CC(C#N)=C(N3CCCN(CC3)C4=NN=C(S4)C(F)(F)F)C2C1,"6-(propan-2-yl)-4-{4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,4-diazepan-1-yl}quinoline-3-carbonitrile",Z1896692207,C21H21F3N6S,"4,53",446.50,446.15,447.0,100,2.53 ± 0.17,5.88 ± 0.55,9.11 ± 0.78,2.26 ± 0.16,1.98 ± 0.21,3.91 ± 0.20
19,CC(C)N(C(=O)CCC1=NC(=NO1)C=2C=COC2)C=3C=NC=4C=CC=CC4C3,"3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-N-(propan-2-yl)-N-(quinolin-3-yl)propanamide",Z1933909500,C21H20N4O3,2.52,376.42,376.15,377.0,100,17.7 ± 3.6,n. t.,n. d.,n. t.,n. d.,n. t.
20,CN(C=1C=CC=C2C=CC=NC12)S(=O)(=O)C=3C=NC=4C=CSC4C3,"N-methyl-N-(quinolin-8-yl)thieno[3,2-b]pyridine-6-sulfonamide",Z1990107654,C17H13N3O2S2,2.61,355.43,355.04,356.1,100,29.1 ± 3.2,n. t.,n. d.,n. t.,n. d.,n. t.
21,COC=1C=CC=2N=C(N=C(N(CC3=NC(=NO3)C=4C=CC=NC4)C(C)C)C2C1)C(F)(F)F,"6-methoxy-N-(propan-2-yl)-N-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-2-(trifluoromethyl)quinazolin-4-amine",Z2142862400,C21H19F3N6O2,3.01,444.42,444.15,445.0,99,2.64 ± 0.34,4.53 ± 0.52,5.63 ± 0.69,2.33 ± 0.07,6.27 ± 0.74,4.45 ± 0.28
22,CC=1C=CC=2C=CC=C(C2N1)S(=O)(=O)N3CCN(CC3)C=4N=CC=C5SC=CC45,"2-methyl-8-[(4-{thieno[3,2-c]pyridin-4-yl}piperazin-1-yl)sulfonyl]quinoline",Z2145689641,C21H20N4O2S2,2.55,424.54,424.10,425.0,100,3.64  ± 0.31,6.18 ± 0.73,14.2 ± 0.2,4.38 ± 0.22,9.07 ± 1.17,14.2 ± 2.1
23,CC(C)OCC1=NC(=NO1)C(C)NC(=O)C(C)SC=2C=CN=C3C=C(Cl)C=CC23,"2-[(7-chloroquinolin-4-yl)sulfanyl]-N-(1-{5-[(propan-2-yloxy)methyl]-1,2,4-oxadiazol-3-yl}ethyl)propanamide",Z2184940497,C20H23ClN4O3S,3.68,434.94,434.12,435.0,100,25.0 ± 5.6,n. t.,n. d.,n. t.,18.1 ± 1.3,n. t.
24,COC=1C=CC(NC=2C=C(NCCC3=NN=C(S3)C(C)C)N=CN2)=C(OC)C1,"N4-(2,4-dimethoxyphenyl)-N6-{2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]ethyl}pyrimidine-4,6-diamine",Z2199974094,C19H24N6O2S,3.15,400.50,400.17,401.0,98,16.2 ± 2.0,n. t.,n. d.,n. t.,8.11 ± 0.75,n. t.
25,CCN(C=1C=CC=CC1)C=2C=C(NCCC3=NN=C(S3)C(C)C)N=CN2,"N4-ethyl-N4-phenyl-N6-{2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]ethyl}pyrimidine-4,6-diamine",Z2214001359,C19H24N6S,3.88,368.50,368.18,369.0,100,32.7 ± 9.1,n. t.,n. d.,n. t.,17.4 ± 3.0,n. t.
26,COC=1C=CC=2N=CC(C#N)=C(N3CCC(CC4=NC(=NO4)C(C)C)CC3)C2C1,"6-methoxy-4-(4-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)quinoline-3-carbonitrile",Z2434240495,C22H25N5O2,2.96,391.48,391.20,392.2,100,2.00 ± 0.14,5.87 ± 1.28,9.66 ± 0.65,0.764 ± 0.115,0.540 ± 0.150,0.810 ± 0.140
27,CN1C=C(C2=NOC(=N2)C=3C=C(NC=4C=CC=CC4)N=CN3)C=5C=CC=CC15,"6-[3-(1-methyl-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpyrimidin-4-amine",Z2902917812,C21H16N6O,3.63,368.40,368.14,369.0,100,5.75 ± 0.76,n. t.,n. d.,n. t.,0.220 ± 0.020,n. t.
28,COC=1C=CC=C2C(NCCC3=NN=C(S3)C(C)C)=NC=NC12,"8-methoxy-N-{2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]ethyl}quinazolin-4-amine",Z3019339476,C16H19N5OS,2.77,329.42,329.13,330.0,96,n. d.,n. t.,n. d.,n. t.,35.6 ± 6.2,n. t.
29,CC(C)C=1N=NSC1C(=O)NC=2C=NC=3C(F)=C(F)C=CC3C2,"N-(7,8-difluoroquinolin-3-yl)-4-(propan-2-yl)-1,2,3-thiadiazole-5-carboxamide",Z4595013321,C15H12F2N4OS,2.87,334.34,334.07,335.0,100,n. d.,n. t.,n. d.,n. t.,16.2 ± 6.2,n. t.
30,CC(C)N1N=CC=2C=C(NC=3N=CN=C4C(F)=C(F)C=CC34)C=CC12,"7,8-difluoro-N-[1-(propan-2-yl)-1H-indazol-5-yl]quinazolin-4-amine",Z4595013374,C18H15F2N5,3.30,339.35,339.13,340.2,100,13.7 ± 1.9,n. t.,n. d.,n. t.,1.08 ± 0.30,n. t.
31,COC=1C(Cl)=CC=CC1C2=NOC(=N2)C=3C=NC=4SC=CC4C3,"3-(3-chloro-2-methoxyphenyl)-5-{thieno[2,3-b]pyridin-5-yl}-1,2,4-oxadiazole",Z4595013397,C16H10ClN3O2S,3.92,343.79,343.02,344.0,96,n. d.,n. t.,n. d.,n. t.,23.6 ± 2.6,n. t.
32,CC(C)N1C=CC(CC2=NC(=NO2)C=3C=NC=4C(F)=CC=CC4C3)=N1,"8-fluoro-3-(5-{[1-(propan-2-yl)-1H-pyrazol-3-yl]methyl}-1,2,4-oxadiazol-3-yl)quinoline",Z4595013410,C18H16FN5O,2.49,337.36,337.13,338.2,100,19.6 ± 3.3,n. t.,n. d.,n. t.,7.11 ± 0.68,n. t.
33,CSC1=NSC(NC(=O)C=2SC=3N=CC=CC3C2Cl)=N1,"3-chloro-N-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]thieno[2,3-b]pyridine-2-carboxamide",Z4595013450,C11H7ClN4OS3,2.91,342.83,341.95,343.0,100,n. d.,n. t.,n. d.,n. t.,1.46 ± 0.12,n. t.