anagrelide   

GtoPdb Ligand ID: 7114

Synonyms: Agrylin® | BL-4162a | Xagrid®
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
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
SMILES / InChI / InChIKey
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)
InChI Key OTBXOEAOVRKTNQ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1997), EMA (2004))
IUPAC Name
6,7-dichloro-3H,5H-imidazo[2,1-b]quinazolin-2-ol
International Nonproprietary Names
INN number INN
4672 anagrelide
Synonyms
Agrylin® | BL-4162a | Xagrid®
Database Links
CAS Registry No. 68475-42-3
ChEMBL Ligand CHEMBL760
DrugBank Ligand DB00261
DrugCentral Ligand 209
GtoPdb PubChem SID 178103691
PubChem CID 2182
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Wikipedia Anagrelide