MHR

4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

Created:	2007-12-04
Last modified:	2011-06-04

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1 entries where MHR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	17

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Chemical Component Summary
Name	4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
Systematic Name (OpenEye OEToolkits)	4-(4-propoxy-1H-pyrrolo[5,4-b]pyridin-3-yl)pyrimidin-2-amine
Formula	C₁₄ H₁₅ N₅ O
Molecular Weight	269.302
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1ccc(OCCC)c2c1ncc2c3nc(ncc3)N
SMILES	CACTVS	3.341	CCCOc1ccnc2[nH]cc(c3ccnc(N)n3)c12
SMILES	OpenEye OEToolkits	1.5.0	CCCOc1ccnc2c1c(c[nH]2)c3ccnc(n3)N
Canonical SMILES	CACTVS	3.341	CCCOc1ccnc2[nH]cc(c3ccnc(N)n3)c12
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCOc1ccnc2c1c(c[nH]2)c3ccnc(n3)N
InChI	InChI	1.03	InChI=1S/C14H15N5O/c1-2-7-20-11-4-6-16-13-12(11)9(8-18-13)10-3-5-17-14(15)19-10/h3-6,8H,2,7H2,1H3,(H,16,18)(H2,15,17,19)
InChIKey	InChI	1.03	ZHMRPXZRUZLCNL-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB08182
Name	4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
Groups	experimental
Synonyms	4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Cyclin-dependent kinase 9	MAKQYDSVECPFCDEVSKYEKLAKIGQGTFGEVFKARHRKTGQKVALKKV...	unknown	inhibitor
Cyclin-dependent kinase 2	MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIR...	unknown	inhibitor
Cyclin-A2	MLGNSAPGPATREAGSALLALQQTALQEDQENINPEKAAPVQQPRTRAAL...	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