PK3

6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

Created:	2008-10-02
Last modified:	2011-06-04

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1 entries where PK3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	10

2D diagram of PK3

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Chemical Component Summary
Name	6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Systematic Name (OpenEye OEToolkits)	6-amino-4-(2-hydroxyethyl)-2-methylamino-3,7-dihydroimidazo[4,5-g]quinazolin-8-one
Formula	C₁₂ H₁₄ N₆ O₂
Molecular Weight	274.279
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C3NC(=Nc2c(c1nc(nc1cc23)NC)CCO)N
SMILES	CACTVS	3.341	CNc1[nH]c2c(CCO)c3N=C(N)NC(=O)c3cc2n1
SMILES	OpenEye OEToolkits	1.5.0	CNc1[nH]c2c(n1)cc3c(c2CCO)N=C(NC3=O)N
Canonical SMILES	CACTVS	3.341	CNc1[nH]c2c(CCO)c3N=C(N)NC(=O)c3cc2n1
Canonical SMILES	OpenEye OEToolkits	1.5.0	CNc1[nH]c2c(n1)cc3c(c2CCO)N=C(NC3=O)N
InChI	InChI	1.03	InChI=1S/C12H14N6O2/c1-14-12-15-7-4-6-8(16-11(13)18-10(6)20)5(2-3-19)9(7)17-12/h4,19H,2-3H2,1H3,(H2,14,15,17)(H3,13,16,18,20)
InChIKey	InChI	1.03	VKUWLKQBGXDONE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135566447, 44199330

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.