talarozole   Click here for help

GtoPdb Ligand ID: 11381

Synonyms: R-115866 | R115866 | Rambazole®
Compound class: Synthetic organic
Comment: Talarozole (R115866) is a cytochrome P450 CYP26 inhibitor. It was investigated for clinical efficacy as a treatment for cutaneous inflammation, including psoriasis.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 83.87
Molecular weight 377.17
XLogP 4.89
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCC(C(n1cncn1)c1ccc(cc1)Nc1nc2c(s1)cccc2)CC
Isomeric SMILES CCC(C(n1cncn1)c1ccc(cc1)Nc1nc2c(s1)cccc2)CC
InChI InChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)
InChI Key SNFYYXUGUBUECJ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-1,3-benzothiazol-2-amine
International Nonproprietary Names Click here for help
INN number INN
8964 talarozole
Synonyms Click here for help
R-115866 | R115866 | Rambazole®
Database Links Click here for help
BindingDB Ligand 50253810
CAS Registry No. 201410-53-9 (source: PubChem)
ChEMBL Ligand CHEMBL459505
DrugBank Ligand DB13083
GtoPdb PubChem SID 440816750
PubChem CID 9799888
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