R8E

3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile

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is present as a standalone ligand in 2 entries

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Chemical Component Summary
Name	3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile
Identifiers	3-[5-[(6-amino-1H-pyrazolo[5,4-b]pyridin-3-yl)methoxy]-2-chloro-phenoxy]-5-chloro-benzonitrile
Formula	C₂₀ H₁₃ Cl₂ N₅ O₂
Molecular Weight	426.256
Type	NON-POLYMER
Isomeric SMILES	c1cc(c(cc1OCc2c3ccc(nc3[nH]n2)N)Oc4cc(cc(c4)Cl)C#N)Cl
InChI	InChI=1S/C20H13Cl2N5O2/c21-12-5-11(9-23)6-14(7-12)29-18-8-13(1-3-16(18)22)28-10-17-15-2-4-19(24)25-20(15)27-26-17/h1-8H,10H2,(H3,24,25,26,27)
InChIKey	KXDIHAQCVNNLIB-UHFFFAOYSA-N

Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	22

Drug Info: DrugBank

DrugBank ID	DB08460
Name	MK-4965
Groups	experimental
Description	MK-4965 is an HIV-1 reverse transcriptase inhibitor.
Synonyms	MK-4965
Categories	HIV Reverse Transcriptase, antagonists & inhibitors
CAS number	920035-77-4

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Gag-Pol polyprotein	MGARASVLSGGELDRWEKIRLRPGGKKKYKLKHIVWASRELERFAVNPGL...	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