anagrelide   Click here for help

GtoPdb Ligand ID: 7114

Synonyms: Agrylin® | BL-4162a | Xagrid®
Approved drug PDB Ligand
anagrelide is an approved drug (FDA (1997), EMA (2004))
Compound class: Synthetic organic
Comment: Anagrelide is a phosphodiesterase inhibitor with antiplatelet activity [1].
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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 0
Topological polar surface area 48.19
Molecular weight 255
XLogP 2.2
No. Lipinski's rules broken 0
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Canonical SMILES OC1=NC2=Nc3c(CN2C1)c(Cl)c(cc3)Cl
Isomeric SMILES OC1=NC2=Nc3c(CN2C1)c(Cl)c(cc3)Cl
InChI InChI=1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1997), EMA (2004))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
4672 anagrelide
Synonyms Click here for help
Agrylin® | BL-4162a | Xagrid®
Database Links Click here for help
CAS Registry No. 68475-42-3
DrugBank Ligand DB00261
DrugCentral Ligand 209
GtoPdb PubChem SID 178103691
PubChem CID 135409400
RCSB PDB Ligand J33
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UniChem Compound Search for chemical match using the InChIKey OTBXOEAOVRKTNQ-UHFFFAOYSA-N
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Wikipedia Anagrelide