SD-208   Click here for help

GtoPdb Ligand ID: 8246

Synonyms: SCI-208 [2] | SD 208
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: SD-208 is a selective, ATP-competitive inhibitor of TGFβR1 (ALK5) [2]. SD-208 is compound 14 in patent WO2005032481 [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 76.48
Molecular weight 352.06
XLogP 2.38
No. Lipinski's rules broken 0
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Canonical SMILES Clc1ccc(c(c1)c1nc(Nc2ccncc2)c2c(n1)nccn2)F
Isomeric SMILES Clc1ccc(c(c1)c1nc(Nc2ccncc2)c2c(n1)nccn2)F
InChI InChI=1S/C17H10ClFN6/c18-10-1-2-13(19)12(9-10)15-24-16-14(21-7-8-22-16)17(25-15)23-11-3-5-20-6-4-11/h1-9H,(H,20,22,23,24,25)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
SCI-208 [2] | SD 208
Database Links Click here for help
CAS Registry No. 627536-09-8
ChEMBL Ligand CHEMBL238125
GtoPdb PubChem SID 249565926
PubChem CID 10316032
Search Google for chemical match using the InChIKey BERLXWPRSBJFHO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BERLXWPRSBJFHO
UniChem Compound Search for chemical match using the InChIKey BERLXWPRSBJFHO-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey BERLXWPRSBJFHO-UHFFFAOYSA-N

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SD 208 (links to external site)
Cat. No. 3269