PQ401   

GtoPdb Ligand ID: 5048

Synonyms: IGF-1R inhibitor II | PQ 401 | PQ-401
Compound class: Synthetic organic
Comment: PQ401 inhibits phosphorylation of the insulin-like growth factor 1 receptor (IGF1R) kinase domain [2].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 63.25
Molecular weight 341.09
XLogP 3.44
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1ccc(cc1NC(=O)Nc1cc(C)nc2c1cccc2)Cl
Isomeric SMILES COc1ccc(cc1NC(=O)Nc1cc(C)nc2c1cccc2)Cl
InChI InChI=1S/C18H16ClN3O2/c1-11-9-15(13-5-3-4-6-14(13)20-11)21-18(23)22-16-10-12(19)7-8-17(16)24-2/h3-10H,1-2H3,(H2,20,21,22,23)
InChI Key YBLWOZUPHDKFOT-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
3-(5-chloro-2-methoxyphenyl)-1-(2-methylquinolin-4-yl)urea
Synonyms
IGF-1R inhibitor II | PQ 401 | PQ-401
Database Links
CAS Registry No. 196868-63-0 (source: Scifinder)
ChEMBL Ligand CHEMBL439259
GtoPdb PubChem SID 178101743
PubChem CID 9549305
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Tocris
PQ 401
Cat. No. 2768