Bioactive Compound Details

BioIDbio3533
NameALTIRATINIB
ChEMBL IDCHEMBL3545365
Molecular FormulaC26H21F3N4O4
Molecular Weight510.47
Molecular Weight (Monoisotopic)510.1515
TypeSmall molecule
Max PhasePhase 2
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsALTIRATINIB|Altiratinib|DCC-2701|DP-5164
SmilesO=C(Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)ccn1)C1CC1
InchiInChI=1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,8-9H2,(H,31,35)(H,32,36)(H,30,33,34)
Inchi KeyGNNDEPIMDAZHRQ-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets14.0
Bioactivities27.0
Np Likeness Score-1.47
Records Key['14; DCC-2701', 'Altiratinib', '25; DCC2701', 'Altiratinib', 'Altiratinib', 'ALTIRATINIB', 'DCC-2701', 'ALTIRATINIB', 'ALTIRATINIB', 'Altiratinib', 'Altiratinib', 'EOS101521']
Records Name['Altiratinib', 'Altiratinib', 'Altiratinib', 'Altiratinib', 'Altiratinib', 'ALTIRATINIB', 'Altiratinib', 'ALTIRATINIB', 'ALTIRATINIB', 'Altiratinib', 'Altiratinib', 'Altiratinib']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure