NVP-AEW541   Click here for help

GtoPdb Ligand ID: 8067

Synonyms: AEW541 | NVP AEW541 | NVP-AEW 541 | NVP-AEW541-A
Compound class: Synthetic organic
Comment: NVP-AEW541 is a potent and selective inhibitor of the receptor tyrosine kinase, insulin-like growth factor I receptor (IGF1R) [1]. It was tested in preclinical studies.
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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 69.2
Molecular weight 439.24
XLogP 5.08
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Nc1ncnc2c1c(cn2C1CC(C1)CN1CCC1)c1cccc(c1)OCc1ccccc1
Isomeric SMILES Nc1ncnc2c1c(cn2C1CC(C1)CN1CCC1)c1cccc(c1)OCc1ccccc1
InChI InChI=1S/C27H29N5O/c28-26-25-24(21-8-4-9-23(14-21)33-17-19-6-2-1-3-7-19)16-32(27(25)30-18-29-26)22-12-20(13-22)15-31-10-5-11-31/h1-4,6-9,14,16,18,20,22H,5,10-13,15,17H2,(H2,28,29,30)
InChI Key AECDBHGVIIRMOI-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-(phenylmethoxy)phenyl]pyrrolo[3,2-e]pyrimidin-4-amine
Synonyms Click here for help
AEW541 | NVP AEW541 | NVP-AEW 541 | NVP-AEW541-A
Database Links Click here for help
CAS Registry No. 475489-16-8
ChEMBL Ligand CHEMBL3188172
GtoPdb PubChem SID 249565747
PubChem CID 11476171
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