Bioactive Compound Details

BioIDbio3512
NameAMUVATINIB HYDROCHLORIDE
ChEMBL IDCHEMBL2105685
Molecular FormulaC23H22ClN5O3S
Molecular Weight483.98
Molecular Weight (Monoisotopic)447.1365
TypeSmall molecule
Max PhaseUnknown
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsAMUVATINIB HYDROCHLORIDE|HPK56|HPK56 HCL|MP-470 HCI|MP-470.HCL|MP470 HCI|MP470.HCL
SmilesCl.S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1
InchiInChI=1S/C23H21N5O3S.ClH/c32-23(24-12-15-5-6-18-19(11-15)30-14-29-18)28-9-7-27(8-10-28)22-21-20(25-13-26-22)16-3-1-2-4-17(16)31-21;/h1-6,11,13H,7-10,12,14H2,(H,24,32);1H
Inchi KeyIKQFRXPMBGQJGE-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets14.0
Bioactivities179.0
Np Likeness Score-1.19
Records Key['MP470 HCl', 'AMUVATINIB HYDROCHLORIDE']
Records Name['N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carbothioamide hydrochloride', 'AMUVATINIB HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure