MFR

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

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

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2 entries where MFR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	17

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Chemical Component Summary
Name	4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
Systematic Name (OpenEye OEToolkits)	4-(4-methoxy-1H-pyrrolo[5,4-b]pyridin-3-yl)pyrimidin-2-amine
Formula	C₁₂ H₁₁ N₅ O
Molecular Weight	241.249
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1ccc(OC)c2c1ncc2c3nc(ncc3)N
SMILES	CACTVS	3.341	COc1ccnc2[nH]cc(c3ccnc(N)n3)c12
SMILES	OpenEye OEToolkits	1.5.0	COc1ccnc2c1c(c[nH]2)c3ccnc(n3)N
Canonical SMILES	CACTVS	3.341	COc1ccnc2[nH]cc(c3ccnc(N)n3)c12
Canonical SMILES	OpenEye OEToolkits	1.5.0	COc1ccnc2c1c(c[nH]2)c3ccnc(n3)N
InChI	InChI	1.03	InChI=1S/C12H11N5O/c1-18-9-3-5-14-11-10(9)7(6-16-11)8-2-4-15-12(13)17-8/h2-6H,1H3,(H,14,16)(H2,13,15,17)
InChIKey	InChI	1.03	GGEWEQJWGGJUHO-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08178
Name	4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
Groups	experimental
Synonyms	4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cyclin-dependent kinase 2	MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIR...	unknown
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