anlotinib

Ligand id: 9601

Name: anlotinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 82.39
Molecular weight 407.16
XLogP 3.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxymethyl]cyclopropan-1-amine
Synonyms
AL-3818 | AL3818
Database Links
CAS Registry No. 1058156-90-3 (source: PubChem)
PubChem CID 25017411
Search Google for chemical match using the InChIKey KSMZEXLVHXZPEF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KSMZEXLVHXZPEF
Search UniChem for chemical match using the InChIKey KSMZEXLVHXZPEF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KSMZEXLVHXZPEF
Comments
Anlotinib (AL3818) is a non-selective inhibitor of multiple receptor tyrosine kinases, including vascular endothelial growth factor receptor type 2 (VEGFR-2, FLT1) and type 3 (VEGFR-3, FLT4). It is being investigated for antineoplastic and anti-angiogenic potential. The dihydrochloride has PubChem CID 57380530. Preparation and crystallisation of AL3818 is described in patent WO2016179123 [2].