AC710   Click here for help

GtoPdb Ligand ID: 8095

Synonyms: AC 710 | AC-710
Compound class: Synthetic organic
Comment: The design and synthesis of AC710 is described in [1], where it is compound 22b. AC710 is reported as an inhibitor of platelet-derived growth factor receptor (PDGFR) family receptor tyrosine kinases (RTKs). The compound has favourable pharmacodynamics and pharmacokinetics, and is active against mouse xenograft tumours and in a collagen-induced arthritis (CIA) model [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 121.62
Molecular weight 562.33
XLogP 4.81
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(cc1)NC(=O)Nc1noc(c1)C(C)(C)C
Isomeric SMILES CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(cc1)NC(=O)Nc1noc(c1)C(C)(C)C
InChI InChI=1S/C31H42N6O4/c1-9-37-30(5,6)17-23(18-31(37,7)8)40-22-14-15-24(32-19-22)27(38)33-20-10-12-21(13-11-20)34-28(39)35-26-16-25(41-36-26)29(2,3)4/h10-16,19,23H,9,17-18H2,1-8H3,(H,33,38)(H2,34,35,36,39)
InChI Key JVCWPUFNLFSKFS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}phenyl)-5-[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy]pyridine-2-carboxamide
Synonyms Click here for help
AC 710 | AC-710
Database Links Click here for help
ChEMBL Ligand CHEMBL2206278
GtoPdb PubChem SID 249565775
PubChem CID 54760053
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Tocris
AC 710
Cat. No. 5013