F9Q

6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine

Created:	2018-06-15
Last modified:	2019-06-26

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1 entries where F9Q is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	18

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Chemical Component Summary
Name	6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
Systematic Name (OpenEye OEToolkits)	6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
Formula	C₁₅ H₁₁ Cl F N₅
Molecular Weight	315.733
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1cc(cc(Cl)n1)c2nnc(N)nc2c3ccc(F)cc3
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(cc(n1)Cl)c2c(nc(nn2)N)c3ccc(cc3)F
Canonical SMILES	CACTVS	3.385	Cc1cc(cc(Cl)n1)c2nnc(N)nc2c3ccc(F)cc3
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(cc(n1)Cl)c2c(nc(nn2)N)c3ccc(cc3)F
InChI	InChI	1.03	InChI=1S/C15H11ClFN5/c1-8-6-10(7-12(16)19-8)14-13(20-15(18)22-21-14)9-2-4-11(17)5-3-9/h2-7H,1H3,(H2,18,20,22)
InChIKey	InChI	1.03	NCWQLHHDGDXIJN-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	DB16192
Name	Imaradenant
Groups	investigational
Description	Imaradenant is under investigation in clinical trial NCT03381274 (Oleclumab (MEDI9447) Egfrm NSCLC Novel Combination Study).
Synonyms	Imaradenant
CAS number	1321514-06-0

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
Adenosine receptor A2a	MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAA...	unknown	antagonist

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