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Chemokine receptors
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(E)-N-(oxan-4-yl)-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]but-2-ene-1,4-diamine, Antagonist of CXCR4;Inhibitor of CYP2D6SMILES: O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2InChIKey: QPAGOTNPJABYCP-FITNPZAZSA-NInChI: show more
Synonyms: compound 46c -
4-tert-butyl-N-[7-chloro-2-(2-methyl-1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide, Antagonist of CCR9IUPAC Name: 4-tert-butyl-N-[7-chloro-2-(2-methyl-1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamideSMILES: O=C1c2c(ccc(c2C(=O)N1c1ccc[n+](c1C)[O-])Cl)NS(=O)(=O)c1ccc(cc1)C(C)(C)CInChIKey: SEZYEWZALINSCW-UHFFFAOYSA-NInChI: InChI=1S/C24H22ClN3O5S/c1-14-19(6-5-13-27(14)31)28-22(29)20-17(25)11-12-18(21(20)23(28)30)26-34(32,33)16-9-7-15(8-10-16)24(2,3)4/h5-13,26H,1-4H3Synonyms: compound 24
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AZD2423, Allosteric modulator of CCR2IUPAC Name: 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamideSMILES: O=C(N1CCN(CC1)C(=O)[C@@H]1NCCN(C1)C(C)C)Nc1ccc(c(c1)F)ClInChIKey: WERHXSXPOAOBJV-QGZVFWFLSA-NInChI: show more Synonyms: 1W47471992 | AKOS040741194 | CS-0116098 | UNII-1W47471992 | 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-...
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AZD5069, Antagonist of CXCR1;Antagonist of CXCR2IUPAC Name: N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[(2R,3S)-3,4-dihydroxybutan-2-yl]oxypyrimidin-4-yl]azetidine-1-sulfonamideSMILES: OC[C@@H]([C@H](Oc1nc(SCc2cccc(c2F)F)nc(c1)NS(=O)(=O)N1CCC1)C)OInChIKey: QZECRCLSIGFCIO-RISCZKNCSA-NInChI: show more Synonyms: C18H22F2N4O5S2 | N-[2-[[(2,3-Difluorophenyl)methyl]thio]-6-[(1R,2S)-2,3-dihydroxy-1-methylpropoxy]-4-pyrimidinyl]-1-a...
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AZD5672, C-C chemokine receptor type 5 antagonistIUPAC Name: N-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamideSMILES: CCN(C(=O)Cc1ccc(cc1)S(=O)(=O)C)C1CCN(CC1)CC[C@@H](c1cc(F)cc(c1)F)C1CCN(CC1)S(=O)(=O)CInChIKey: QOSMEMHKXNNIGG-SSEXGKCCSA-NInChI: show more Synonyms: AZD5672 | BDBM50364743 | GTPL7686 | AZD 5672 | n-(1-{(3r)-3-(3,5-difluorophenyl)-3-[1-(methylsulfonyl)piperidin-4-yl]...
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AZD3778, Antagonist of CCR3;Antagonist of H 1 receptor;Channel blocker of K v11.1Cas Number: 1032129-23-9 Compound CID: 11753159IUPAC Name: 4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamideSMILES: Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(c(c1)Cl)ClInChIKey: QVLZVRFIGXNZMN-UHFFFAOYSA-NInChI: show more Synonyms: AZD-3778 [WHO-DD] | 4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide | AZ...
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BI-6901, Antagonist of CCR10IUPAC Name: 4-(2-cyano-1H-pyrrol-1-yl)-S-(1H-indol-4-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutane-2-sulfonamidoSMILES: N#Cc1cccn1CC[C@H](C(=O)N1CCC(CC1)C)NS(=O)(=O)c1cccc2c1cc[nH]2InChIKey: BRJXJOWXAFLRTE-OAQYLSRUSA-NInChI: show more Synonyms: BI 6901;BI6901;eut-22
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CXCR4 antagonist 22, Antagonist of CXCR4IUPAC Name: 1-([1,1′-biphenyl]-3-yl)-N-((1-(2-chlorobenzyl)piperidin-4-yl)methyl)methanamineSMILES: Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1InChIKey: XBEBHNXBLIDZDS-UHFFFAOYSA-NInChI: InChI=1S/C26H29ClN2/c27-26-12-5-4-10-25(26)20-29-15-13-21(14-16-29)18-28-19-22-7-6-11-24(17-22)23-8-2-1-3-9-23/h1-12,17,21,28H,13-16,18-20H2
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CX549, Antagonist of CXCR4IUPAC Name: (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acidSMILES: OC(=O)[C@H](CCC(=O)N1CCC(CC1)Nc1nc(NCc2nnn(c2)CCCNCCCNC2CCCCC2)nc2c1cccc2)NInChIKey: QOVYHDHLFPKQQG-NDEPHWFRSA-NInChI: show more Synonyms: compound 63 [WO2016048861];CX-549
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FLX475, Antagonist of CCR4IUPAC Name: 2-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanolSMILES: C[C@H](c1c(cc(cc1)Cl)Cl)n1c2nc(cnc2c(n1)C(F)(F)F)N1CC(C1)[C@H]1CCCN(C1)CCOInChIKey: AKSVALRPYDVQBS-CABCVRRESA-NInChI: show more Synonyms: 2174938-78-2 | example 43 [WO2018022992A1] | Tivumecirnon | EX-A6867 | 1-Piperidineethanol, 3-(1-(1-((1R)-1-(2,4-dich...
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E913, Antagonist of CCR5Cas Number: 342394-93-8 Compound CID: 491774IUPAC Name: 1-butyl-3-(cyclohexylmethyl)-9-(2,3-dihydro-1,4-benzodioxin-7-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dioneSMILES: CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C21CCN(CC2)Cc1ccc2c(c1)OCCO2InChIKey: VBONNDPACFTZMX-UHFFFAOYSA-NInChI: show more Synonyms: GTPL3500 | 1,4,9-Triazaspiro(5.5)undecane-2,5-dione, 1-butyl-3-(cyclohexylmethyl)-9-((2,3-dihydro-1,4-benzodioxin-6-y...
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JNJ-27141491, Allosteric modulator of CCR2IUPAC Name: methyl 3-[(1R)-1-(3,4-difluorophenyl)propyl]-5-(1,2-oxazol-5-yl)-2-sulfanylidene-1H-imidazole-4-carboxylateSMILES: CC[C@@H](n1c(=S)[nH]c(c1C(=O)OC)c1ccno1)c1ccc(c(c1)F)FInChIKey: SYARXICKXVXWNA-GFCCVEGCSA-NInChI: InChI=1S/C17H15F2N3O3S/c1-3-12(9-4-5-10(18)11(19)8-9)22-15(16(23)24-2)14(21-17(22)26)13-6-7-20-25-13/h4-8,12H,3H2,1-2H3,(H,21,26)/t12-/m1/s1Synonyms: JNJ27141491
