The bioactive molecules with primary target of sterol 14α-demethylase inhibition predicted by the minimum structure in imidazol-1-yl group

Reference: Forouzesh A, Samadi Foroushani S, Forouzesh F and Zand E (2019) Reliable target prediction of bioactive molecules based on chemical similarity without employing statistical methods. Front. Pharmacol. 10:835. doi: 10.3389/fphar.2019.00835

1-Dodecylimidazole (N-dodecylimidazole): CAS Reg. No.4303-67-7, InChIKey JMTFLSQHQSFNTE-UHFFFAOYSA-N; AFK 108: CAS Reg. No.135330-85-7, InChIKey VEBBPRCZRACGDG-BWXGWXQGSA-N; Aliconazole: CAS Reg. No.63824-12-4, InChIKey WNGFKUOERJDDIY-OQLLNIDSSA-N; Arasertaconazole: CAS Reg. No.583057-48-1, InChIKey JLGKQTAYUIMGRK-IBGZPJMESA-N; Azalanstat: CAS Reg. No.143393-27-5, InChIKey VYNIUBZKEWJOJP-UNMCSNQZSA-N; BAY C-9263: CAS Reg. No.56290-29-0, InChIKey QAGZXMQDYRBQLN-UHFFFAOYSA-N; BAY D-9603: CAS Reg. No.36698-20-1, InChIKey MTXDFCPHZOIELM-UHFFFAOYSA-N; Becliconazole: CAS Reg. No.112893-26-2, InChIKey NZSHKJYRRPWFGN-JJMXQKMNSA-N; Bifonazole: CAS Reg. No.60628-96-8, InChIKey MNYJKGRCRFPXGL-IKXJNKEISA-N; Brolaconazole: CAS Reg. No.108894-40-2, InChIKey HPIJVBZJFDBDIB-QAOGLABXSA-N; Butoconazole: CAS Reg. No.64872-76-0, InChIKey GFQXTUUCDYFXOL-RRHAQCGESA-N; Cisconazole: CAS Reg. No.104456-79-3, InChIKey UEEKYUQRQVJODD-JQDMTEHVSA-N; Climbazole: CAS Reg. No.38083-17-9, InChIKey DOGQEYHNANWDJU-IKFJUQJOSA-N; Clotrimazole: CAS Reg. No.23593-75-1, InChIKey VNFPBHJOKIVQEB-UHFFFAOYSA-N; Croconazole: CAS Reg. No.77175-51-0, InChIKey WHPAGCJNPTUGGD-UHFFFAOYSA-N; Democonazole: CAS Reg. No.70161-09-0, InChIKey ABVFVJRTKMVJMV-XDHOZWIPSA-N; Dichlorophenyl imidazoldioxolan (elubiol): CAS Reg. No.67914-69-6, InChIKey ZISRNZMDAFGHDW-BTOYNABYSA-N; Doconazole: CAS Reg. No.59831-63-9, InChIKey UXSJEKCVVMAKOL-ICCBHQQHSA-N; Eberconazole: CAS Reg. No.128326-82-9, InChIKey YPJVLGCHLGMCIW-JJMXQKMNSA-N; Econazole: CAS Reg. No.27220-47-9, InChIKey XPKMQAONTXFFGN-JJMXQKMNSA-N; Fenapanil: CAS Reg. No.61019-78-1, InChIKey RIELFAOFGOMSQE-RRHAQCGESA-N; Fenticonazole: CAS Reg. No.72479-26-6, InChIKey BVAMTFZPMBAWRF-STCDVQFJSA-N; Flutrimazole: CAS Reg. No.119006-77-8, InChIKey WNVBMMUIAABPGP-IKXJNKEISA-N; Imazalil (enilconazole): CAS Reg. No.35554-44-0, InChIKey BZKXPDQNGYLUSH-IKFJUQJOSA-N; Isoconazole: CAS Reg. No.27523-40-6, InChIKey RIOHVOBBAZPSRG-JJMXQKMNSA-N; Ketaminazole: InChIKey OXONPOTUQMJCNH-ICCBHQQHSA-N; Ketoconazole: CAS Reg. No.65277-42-1, InChIKey RPECMBIVPHZCSC-ICCBHQQHSA-N; Lanoconazole: CAS Reg. No.101530-10-3, InChIKey WQFFFCGJNONTPF-QGXXPBGRSA-N; Lombazole: CAS Reg. No.60628-98-0, InChIKey QSDKVULGCBWAJP-IKXJNKEISA-N; Luliconazole: CAS Reg. No.187164-19-8, InChIKey YTAOBBFIOAEMLL-REQDGWNSSA-N; MH 0685: CAS Reg. No.105688-63-9, InChIKey DDSQEQZRLZZOJR-UHFFFAOYSA-N; Miconazole: CAS Reg. No.22916-47-8, InChIKey APCOSEGPTCWPHP-JJMXQKMNSA-N; Neticonazole: CAS Reg. No.130726-68-0, InChIKey VWOIKFDZQQLJBJ-DTQAZKPQSA-N; OK 8705: CAS Reg. No.56764-91-9, InChIKey ZTPSVWPAOCNTDE-ZWZQDMJTSA-N; OK 8801: CAS Reg. No.156764-92-0, InChIKey OWTBSSUBJUMAAH-ZWZQDMJTSA-N; Omoconazole: CAS Reg. No.74512-12-2, InChIKey JMFOSJNGKJCTMJ-ZHZULCJRSA-N; Orconazole: CAS Reg. No.66778-37-8, InChIKey ZBBFBKFWRSNBEF-JJMXQKMNSA-N; Oxiconazole: CAS Reg. No.64211-45-6, InChIKey QRJJEGAJXVEBNE-HKOYGPOVSA-N; Oxpoconazole: CAS Reg. No.134074-64-9, InChIKey BOLPVRVYVDAPEO-OYPHMNEHSA-N; Parconazole: CAS Reg. No.61400-59-7, InChIKey NLLNYRPYKMKFKS-QMGGJZHNSA-N; Pefurazoate: CAS Reg. No.101903-30-4, InChIKey WWWXSKRXDKHXKA-RRHAQCGESA-N; PR 967-234: CAS Reg. No.113614-50-9, InChIKey SMZRSICFVRMOFE-WKZUIDESSA-N; Prochloraz: CAS Reg. No.67747-09-5, InChIKey TVLSRXXIMLFWEO-UHFFFAOYSA-N; R 31000: CAS Reg. No.59364-79-3, InChIKey GIPWYOKMIORAMK-GMHWIHOYSA-N; Sertaconazole: CAS Reg. No.99592-32-2, InChIKey LJLKIDAGGMBTKK-OYPHMNEHSA-N; SM 4470: CAS Reg. No.89433-57-8, InChIKey GYJPRBFOYUKMDU-PKLMIRHRSA-N; SSF 105: CAS Reg. No.92678-39-2, InChIKey WSJCEFBEHAVGML-UHFFFAOYSA-N; Sulconazole: CAS Reg. No.61318-90-9, InChIKey CTIGODQDRBKBMD-JJMXQKMNSA-N; Tioconazole: CAS Reg. No.65899-73-2, InChIKey TWBXKPYJOIBYBR-ZWZQDMJTSA-N; Triflumizole: CAS Reg. No.68694-11-1, InChIKey HSMVPDGQOIQYSR-KGENOOAVSA-N; UK 38667: InChIKey UBVGNXYFFHOQEO-IKFJUQJOSA-N; Valconazole: CAS Reg. No.56097-80-4, InChIKey QMLYQGYOBJCNOZ-IKFJUQJOSA-N; Zinoconazole: CAS Reg. No.84697-21-2, InChIKey KCHHCAJDHQEGNL-UDWIEESQSA-N; Zoficonazole: CAS Reg. No.71097-23-9, InChIKey DHNBWYKFUTZUFX-ZCLATKBISA-N