Bioactive Compound Details

BioIDbio198656
NameNone
ChEMBL IDCHEMBL330383
Molecular FormulaC19H29N3O
Molecular Weight315.46
Molecular Weight (Monoisotopic)315.2311
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Tert-Butylprimaquine
SmilesCOc1cc(NC(C)CCCN)c2nc(C(C)(C)C)ccc2c1
InchiInChI=1S/C19H29N3O/c1-13(7-6-10-20)21-16-12-15(23-5)11-14-8-9-17(19(2,3)4)22-18(14)16/h8-9,11-13,21H,6-7,10,20H2,1-5H3
Inchi KeyIDSOIRUIKYGAHY-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets6.0
Bioactivities19.0
Np Likeness Score-0.48
Records Key['BPQ, 2-tert-butyl primaquine', 'BPQ', '2', 'BPQ', '5', '60']
Records Name['N-(5-aminopentan-2-yl)-2-tert-butyl-6-methoxyquinolin-8-amine', 'N4-(2-tert-butyl-6-methoxyquinolin-8-yl)pentane-1,4-diamine', 'N*4*-(2-tert-Butyl-6-methoxy-quinolin-8-yl)-pentane-1,4-diamine', '2-tert-Butylprimaquine', 'N4-(2-tert-butyl-6-methoxyquinolin-8-yl)pentane-1,4-diamine', 'N1-(2-tert-butyl-6-methoxyquinolin-8-yl)-N1-methylpropane-1,3-diamine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure