Bioactive Compound Details

BioIDbio183762
NameZOTIRACICLIB
ChEMBL IDCHEMBL1944698
Molecular FormulaC23H24N4O
Molecular Weight372.47
Molecular Weight (Monoisotopic)372.195
TypeSmall molecule
Max PhasePhase 2
Target IDTar57
Target NameNone
SynonymsEX 45|EX45|SB-1317|SB-1317 FREE BASE|SB1317|TG-02|TG02|ZOTIRACICLIB
SmilesCN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1
InchiInChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+
Inchi KeyVXBAJLGYBMTJCY-NSCUHMNNSA-N
Molecular SpeciesNEUTRAL
Targets319.0
Bioactivities380.0
Np Likeness Score0.65
Records Key['26h, SB1317/TG02', 'SB-1317', 'ZOTIRACICLIB', 'SB1317', '50', 'TG-02', 'SB1317', 'SB1317', '6, SB1317/TG02', 'TG02', 'ZOTIRACICLIB', 'SB1317', 'TG-02', '9; TG-02', 'SB1317', '34; SB1317', '8; SB1317, TG02', '3; TG02', '20; TG02', 'SB1317']
Records Name['(16E)-14-Methyl-20-oxa-5,7,14,26-tetraazatetracyclo-[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8-(27),9,11,16,21,23-decaene', 'SB-1317', 'ZOTIRACICLIB', 'SB1317', None, 'TG-02', 'SB1317', '(16E)-14-methyl-20-oxa-5,7,14,27-tetraazatetracyclo[19.3.1.1^{2,6}.1^{8,12}]heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-decaene', '(16E)-14-methyl-20-oxa-5,7,14,27-tetraazatetracyclo[19.3.1.1^{2,6}.1^{8,12}]heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-decaene', 'NA', 'ZOTIRACICLIB', 'SB1317', 'TG-02', 'Zotiraciclib', 'SB1317', None, 'Zotiraciclib', '6-methyl-12-oxa-3,6-diaza-2(4,2)-pyrimidina-1,4(1,3)-dibenzenacyclododecaphan-8-ene', 'Zotiraciclib', None]
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure