Bioactive Compound Details

BioIDbio3081
NameANAGRELIDE
ChEMBL IDCHEMBL760
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09
Molecular Weight (Monoisotopic)254.9966
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsANAGRELIDA|ANAGRELIDE|Agrylin|Anagrelide|Xagrid
SmilesO=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1
InchiInChI=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 KeyOTBXOEAOVRKTNQ-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets78.0
Bioactivities255.0
Np Likeness Score-0.85
Records Key['2 (anagrilide)', '3', 'Anagrelide', '1b', 'anagrelide', 'BL-4162A', '2', '2 (Anagrelide)', '74', 'SID124892336', 'Anagrelide', 'ANAGRELIDE', 'ANAGRELIDE', 'anagrelide', 'Anagrelide', '27', 'ANAGRELIDE', 'SID26755034', 'ANAGRELIDE', 'Anagrelide', '996', 'ANAGRELIDE', 'ANAGRELIDE HYDROCHLORIDE', 'COVC-3362068323', '1', 'anagrelide', 'ANAGRELIDE', '14', 'Anagrelid']
Records Name['6,7-Dichloro-1,5-dihydro-imidazo[2,1-b]quinazolin-2-one', '6,7-Dichloro-1,5-dihydro-imidazo[2,1-b]quinazolin-2-one', 'Anagrelide', '6,7-Dichloro-1,5-dihydro-imidazo[2,1-b]quinazolin-2-one', 'anagrelide', '6,7-Dichloro-1,5-dihydro-imidazo[2,1-b]quinazolin-2-one (BL-4162A)', '6,7-Dichloro-1,5-dihydro-imidazo[2,1-b]quinazolin-2-one', '6,7-Dichloro-1,5-dihydro-imidazo[2,1-b]quinazolin-2-one (anagrelide)', 'Anagrelide', 'SID124892336', 'Anagrelide', 'ANAGRELIDE', 'ANAGRELIDE', '6,7-Dichloro-1,5-dihydro-imidazo[2,1-b]quinazolin-2-one (anagrelide)', 'Anagrelide', '6,7-Dichloro-1,5-dihydro-imidazo[2,1-b]quinazolin-2-one', 'ANAGRELIDE', 'SID26755034', 'ANAGRELIDE', 'Anagrelide', None, 'ANAGRELIDE', 'ANAGRELIDE HYDROCHLORIDE', 'ANAGRELIDE', '6,7-dichloro-1H,2H,3H,5H-imidazo[2,1-b]quinazolin-2-one', 'anagrelide', 'ANAGRELIDE', 'Anagrelide', 'Anagrelid']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure