Bioactive Compound Details

BioIDbio3566
NameNAZARTINIB
ChEMBL IDCHEMBL3787344
Molecular FormulaC26H31ClN6O2
Molecular Weight495.03
Molecular Weight (Monoisotopic)494.2197
TypeSmall molecule
Max PhasePhase 2
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsEGF-816|EGF816|NAZARTINIB|NVP-EGF816-NX
SmilesCc1cc(C(=O)Nc2nc3cccc(Cl)c3n2[C@@H]2CCCCN(C(=O)/C=C/CN(C)C)C2)ccn1
InchiInChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1
Inchi KeyIOMMMLWIABWRKL-WUTDNEBXSA-N
Molecular SpeciesBASE
Targets13.0
Bioactivities61.0
Np Likeness Score-1.15
Records Key['EGF816', 'COVC-2833595419', '47; EGF816', 'NAZARTINIB', 'Nazartinib', 'NAZARTINIB', 'Nazartinib', 'Nazartinib', 'NAZARTINIB', 'Nazartinib', 'Nazartinib', 'Nazartinib', 'EOS100887']
Records Name['(R)-N-(7-chloro-1-(1-(4-(dimethylamino)but-2-enoyl)azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide', 'EGF816', '(R,E)-N-(7-Chloro-1-(1-(4-(dimethylamino)but-2-enoyl)azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide', 'NAZARTINIB', 'Nazartinib', 'NAZARTINIB', 'Nazartinib', 'Nazartinib', 'NAZARTINIB', 'Nazartinib', 'Nazartinib', 'Nazartinib', 'Nazartinib']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure