TGF-beta RI inhibitor III   

GtoPdb Ligand ID: 6049

Synonyms: SB-505124 | SB505124
Compound class: Synthetic organic
Comment: This is compound 1 (SB-505124) in [3]. It is a selective inhibitor of TGF-βRI, ALK4 and ALK7.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 60.03
Molecular weight 335.16
XLogP 3.8
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Cc1cccc(n1)c1[nH]c(nc1c1ccc2c(c1)OCO2)C(C)(C)C
Isomeric SMILES Cc1cccc(n1)c1[nH]c(nc1c1ccc2c(c1)OCO2)C(C)(C)C
InChI InChI=1S/C20H21N3O2/c1-12-6-5-7-14(21-12)18-17(22-19(23-18)20(2,3)4)13-8-9-15-16(10-13)25-11-24-15/h5-10H,11H2,1-4H3,(H,22,23)
InChI Key WGZOTBUYUFBEPZ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-[4-(2H-1,3-benzodioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl]-6-methylpyridine
Synonyms
SB-505124 | SB505124
Database Links
CAS Registry No. 694433-59-5
ChEMBL Ligand CHEMBL226838
GtoPdb PubChem SID 178102671
PubChem CID 9858940
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Tocris
SB 505124
Cat. No. 3263