Bioactive Compound Details

BioIDbio3173
NameANAGRELIDE HYDROCHLORIDE
ChEMBL IDCHEMBL1200759
Molecular FormulaC10H8Cl3N3O
Molecular Weight292.55
Molecular Weight (Monoisotopic)254.9966
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsAGRELIN|AGRYLIN|ANAGRELIDE HCL|ANAGRELIDE HYDROCHLORIDE|ANAGRELIDE HYDROCHLORIDE HYDRATE|ANAGRELIDE HYDROCHLORIDE MONOHYDRATE|Anagrelide Mylan|BL-4162A|BMY-26538-01|NSC-724577|NSC-759170|THROMBOREDUCTIN|XAGRID
SmilesCl.O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1
InchiInChI=1S/C10H7Cl2N3O.ClH/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);1H
Inchi KeyTVWRQCIPWUCNMI-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets13.0
Bioactivities15.0
Np Likeness Score-0.85
Records Key['ANAGRELIDE HYDROCHLORIDE', 'SID49681599', 'ANAGRELIDE HYDROCHLORIDE', 'ANAGRELIDE HYDROCHLORIDE', 'ANAGRELIDE HYDROCHLORIDE', 'ANAGRELIDE HYDROCHLORIDE', 'ANAGRELIDE HYDROCHLORIDE', 'ANAGRELIDE HYDROCHLORIDE', 'SAM001246604', 'ANAGRELIDE HYDROCHLORIDE']
Records Name['ANAGRELIDE HYDROCHLORIDE', 'SID49681599', 'ANAGRELIDE HYDROCHLORIDE', 'ANAGRELIDE HYDROCHLORIDE', 'ANAGRELIDE HYDROCHLORIDE', 'ANAGRELIDE HYDROCHLORIDE', 'ANAGRELIDE HYDROCHLORIDE', 'ANAGRELIDE HYDROCHLORIDE', 'C0164937', 'ANAGRELIDE HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure