LDN

4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

Created:	2010-04-02
Last modified:	2011-06-04

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4 entries where LDN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	0
Bond Count	58
Aromatic Bond Count	29

2D diagram of LDN

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Chemical Component Summary
Name	4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
Systematic Name (OpenEye OEToolkits)	4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
Formula	C₂₅ H₂₂ N₆
Molecular Weight	406.482
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1cc(cn2ncc(c12)c3c4ccccc4ncc3)c6ccc(N5CCNCC5)cc6
SMILES	CACTVS	3.370	C1CN(CCN1)c2ccc(cc2)c3cnc4n(c3)ncc4c5ccnc6ccccc56
SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6
Canonical SMILES	CACTVS	3.370	C1CN(CCN1)c2ccc(cc2)c3cnc4n(c3)ncc4c5ccnc6ccccc56
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6
InChI	InChI	1.03	InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
InChIKey	InChI	1.03	CDOVNWNANFFLFJ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB18051
Name	LDN-193189
Groups	investigational
Synonyms	Quinoline, 4-(6-(4-(1-piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)- LDN-193189 monohydrochloride LDN-193189 4-(6-(4-(piperazin-1-yl)phenyl_pyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CAS number	1062368-24-4

Related Resource References

Resource Name	Reference
Pharos	CHEMBL513147
PubChem	25195294
ChEMBL	CHEMBL513147
ChEBI	CHEBI:91387

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.