TAK

6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

Created:	2008-01-21
Last modified:	2021-03-01

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Chemical Details
Formal Charge	0
Atom Count	55
Chiral Atom Count	0
Bond Count	59
Aromatic Bond Count	24

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Chemical Component Summary
Name	6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
Synonyms	Dorsomorphin
Systematic Name (OpenEye OEToolkits)	6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-yl-pyrazolo[1,5-a]pyrimidine
Formula	C₂₄ H₂₅ N₅ O
Molecular Weight	399.488
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(c4ccc(c2cn3ncc(c1ccncc1)c3nc2)cc4)CCN5CCCCC5
SMILES	CACTVS	3.341	C1CCN(CC1)CCOc2ccc(cc2)c3cnc4n(c3)ncc4c5ccncc5
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5
Canonical SMILES	CACTVS	3.341	C1CCN(CC1)CCOc2ccc(cc2)c3cnc4n(c3)ncc4c5ccncc5
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5
InChI	InChI	1.03	InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2
InChIKey	InChI	1.03	XHBVYDAKJHETMP-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08597
Name	Dorsomorphin
Groups	experimental
Synonyms	Dorsomorphin
Categories	AMP-Activated Protein Kinases, antagonists & inhibitors Enzyme Inhibitors Protein Kinase Inhibitors
CAS number	866405-64-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Activin receptor type-1	MVDGVMILPVLIMIALPSPSMEDEKPKVNPKLYMCVCEGLSCGNEDHCEG...	unknown
Peptidyl-prolyl cis-trans isomerase FKBP1A	MGVQVETISPGDGRTFPKRGQTCVVHYTGMLEDGKKFDSSRDRNKPFKFM...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682