Tiocarlide
Tiocarlide is a member of thioureas drug with a maximum clinical trial phase of II and has 1 investigational indication. Inhibition of Mycobacterium tuberculosis recombinant EphE expressed in Escherichia coli BL21 using CMNPC as substrate IC50 0.022 microM
General
Type : Urea derivative
Chemical_Nomenclature : 1,3-bis[4-(3-methylbutoxy)phenyl]thiourea
Canonical SMILES : CC(C)CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCCC(C)C
InChI : InChI=1S\/C23H32N2O2S\/c1-17(2)13-15-26-21-9-5-19(6-10-21)24-23(28)25-20-7-11-22(12-8-20)27-16-14-18(3)4\/h5-12,17-18H,13-16H2,1-4H3,(H2,24,25,28)
InChIKey : BWBONKHPVHMQHE-UHFFFAOYSA-N
Other name(s) : Isoxyl || ISO || Thiocarlide || Disocarban || DB13608 || SCHEMBL329833 || CHEMBL214920 || CHEBI:135637
MW : 400.6
Formula : C23H32N2O2S
CAS_number : 910-86-1
PubChem : 3001386
UniChem : BWBONKHPVHMQHE-UHFFFAOYSA-N
Target
Families : Tiocarlide ligand of proteins in family
Epoxide_hydrolase
Protein :
myctu-ephE
References (2)
| Title : Mycobacterial Epoxide Hydrolase EphD Is Inhibited by Urea and Thiourea Derivatives - Madacki_2021_Int.J.Mol.Sci_22_ |
| Author(s) : Madacki J , Kopal M , Jackson M , Kordulakova J |
| Ref : Int J Mol Sci , 22 : , 2021 |
| Abstract : |
| PubMedSearch : Madacki_2021_Int.J.Mol.Sci_22_ |
| PubMedID: 33809178 |
| Gene_locus related to this paper: myctu-ephd |
| Title : The structure-activity relationship of urea derivatives as anti-tuberculosis agents - Brown_2011_Bioorg.Med.Chem_19_5585 |
| Author(s) : Brown JR , North EJ , Hurdle JG , Morisseau C , Scarborough JS , Sun D , Kordulakova J , Scherman MS , Jones V , Grzegorzewicz A , Crew RM , Jackson M , McNeil MR , Lee RE |
| Ref : Bioorganic & Medicinal Chemistry , 19 :5585 , 2011 |
| Abstract : |
| PubMedSearch : Brown_2011_Bioorg.Med.Chem_19_5585 |
| PubMedID: 21840723 |
| Gene_locus related to this paper: myctu-ephE |