Burixafor
2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethylphosphonic acid
Molecular Identity
Burixafor
2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethylphosphonic acid
PubChem CID: 44479007
2D Structure
Properties
C27H51N8O3P
Molecular Formula
566.70
Molecular Weight
g/mol
566.3822
Exact Mass
Da
-0.1
XLogP
Drug-like (Lipinski: < 5)
152
TPSA
May have limited oral absorption
6
H-Bond Donors
11
H-Bond Acceptors
724
Complexity
SMILES
Canonical SMILES
SMILES: C1CCC(CC1)NCCCNCC2CCC(CC2)CNC3=NC(=CC(=N3)N4CCN(CC4)CCP(=O)(O)O)NIsomeric SMILES
SMILES: C1CCC(CC1)NCCCNCC2CCC(CC2)CNC3=NC(=CC(=N3)N4CCN(CC4)CCP(=O)(O)O)NSynonyms(20)
Burixafor1191448-17-5Burixafor [INN]TG-00542G17Y0Q20G(2-(4-(6-amino-2-((((1r,4r)-4-(((3-(cyclohexylamino)propyl)amino)methyl)cyclohexyl)methyl)amino)pyrimidin-4-yl)piperazin-1-yl)ethyl)phosphonic acidPhosphonic acid, p-(2-(4-(6-amino-2-(((trans-4-(((3-(cyclohexylamino)propyl)amino)methyl)cyclohexyl)methyl)amino)-4-pyrimidinyl)-1-piperazinyl)ethyl)-UNII-2G17Y0Q20GTG0054TG 0054BURIXAFOR [WHO-DD]orb2815410CHEMBL3545224SCHEMBL13332861SCHEMBL14693228
Data from PubChem (NCBI)
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Drug Network
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