ANAGRELIDE

Search structure
Synonyms:
Status: Approved (1997)
Entry Type: Small molecule
Molecule Category: Parent
ATC: L01XX35
UNII: K9X45X0051

Structure
InChI Key OTBXOEAOVRKTNQ-UHFFFAOYSA-N
Smile O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H7Cl2N3O
Molecular Weight 256.09
AlogP 1.93
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 44.7
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Primary Target
phosphodiesterase 3A
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 2 Phosphodiesterase 2A
- 34000-34000 - - -
Enzyme Phosphodiesterase Phosphodiesterase 3 Phosphodiesterase 3A
- 50-1050 - - -
Enzyme Phosphodiesterase Phosphodiesterase 3 Phosphodiesterase 3B
- 50-1050 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Purine receptor
1050 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Thrombocythemia, Essential 3 D013920 ClinicalTrials
Polycythemia Vera 3 D011087 ClinicalTrials
Myeloproliferative Disorders 2 D009196 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 68475-42-3
ChEBI 142290
ChEMBL CHEMBL760
DrugBank DB00261
DrugCentral 209
FDA SRS K9X45X0051
Human Metabolome Database HMDB0014406
Guide to Pharmacology 7114
PharmGKB PA164742986
PubChem 135409400
SureChEMBL SCHEMBL9411
ZINC ZINC000003871541
CONTENTS