X6K

3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL

Created:	2010-02-17
Last modified:	2021-03-01

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3 entries where X6K is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	22

2D diagram of X6K

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Chemical Component Summary
Name	3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL
Synonyms	PI-103
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₉ H₁₆ N₄ O₃
Molecular Weight	348.355
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1c(nc3c4cccnc4oc3c1N2CCOCC2)c5cccc(O)c5
SMILES	CACTVS	3.352	Oc1cccc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2
SMILES	OpenEye OEToolkits	1.6.1	c1cc(cc(c1)O)c2nc3c4cccnc4oc3c(n2)N5CCOCC5
Canonical SMILES	CACTVS	3.352	Oc1cccc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2
Canonical SMILES	OpenEye OEToolkits	1.6.1	c1cc(cc(c1)O)c2nc3c4cccnc4oc3c(n2)N5CCOCC5
InChI	InChI	1.03	InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
InChIKey	InChI	1.03	TUVCWJQQGGETHL-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB17046
Name	PI-103
Groups	investigational
Description	PI-103 is an inhibitor of p110α of class I PI3K.[A253092]
Synonyms	Phenol, 3-(4-(4-morpholinyl)pyrido(3',2':4,5)furo(3,2-d)pyrimidin-2-yl)- PI-103
CAS number	371935-74-9

Related Resource References

Resource Name	Reference
Pharos	CHEMBL573339
PubChem	9884685
ChEMBL	CHEMBL573339
ChEBI	CHEBI:90524

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.