Bioactive Compound Details

BioIDbio1977
NameMAVELERTINIB
ChEMBL IDCHEMBL3989970
Molecular FormulaC18H22FN9O2
Molecular Weight415.43
Molecular Weight (Monoisotopic)415.188
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsEGFR T790M INHIBITOR PF-06747775|MAVELERTINIB|PF-06747775
SmilesC=CC(=O)N[C@@H]1CN(c2nc(Nc3cn(C)nc3OC)c3ncn(C)c3n2)C[C@H]1F
InchiInChI=1S/C18H22FN9O2/c1-5-13(29)21-11-8-28(6-10(11)19)18-23-15(14-16(24-18)26(2)9-20-14)22-12-7-27(3)25-17(12)30-4/h5,7,9-11H,1,6,8H2,2-4H3,(H,21,29)(H,22,23,24)/t10-,11-/m1/s1
Inchi KeyJYIUNVOCEFIUIU-GHMZBOCLSA-N
Molecular SpeciesNEUTRAL
Targets27.0
Bioactivities99.0
Np Likeness Score-1.11
Records Key['MAVELERTINIB', '21; PF-06747775', 'MAVELERTINIB', 'COVC-1759979481']
Records Name['MAVELERTINIB', 'N-((3R,4R)-4-fluoro-1-(6-(3-methoxy-1-methyl-1H-pyrazol-4-ylamino)-9-methyl-9H-purin-2-yl)pyrrolidin-3-yl)acrylamide', 'MAVELERTINIB', 'MAVELERTINIB']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure