GW3

7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE

Created:	1999-07-08
Last modified:	2020-06-05

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1 entries where GW3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	15

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Chemical Component Summary
Name	7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE
Synonyms	GW345
Systematic Name (OpenEye OEToolkits)	7-pentan-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine
Formula	C₁₅ H₁₉ N₅
Molecular Weight	269.345
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n3c2ccc1c(ccn1C(CC)CC)c2c(nc3N)N
SMILES	CACTVS	3.341	CCC(CC)n1ccc2c1ccc3nc(N)nc(N)c23
SMILES	OpenEye OEToolkits	1.5.0	CCC(CC)n1ccc2c1ccc3c2c(nc(n3)N)N
Canonical SMILES	CACTVS	3.341	CCC(CC)n1ccc2c1ccc3nc(N)nc(N)c23
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCC(CC)n1ccc2c1ccc3c2c(nc(n3)N)N
InChI	InChI	1.03	InChI=1S/C15H19N5/c1-3-9(4-2)20-8-7-10-12(20)6-5-11-13(10)14(16)19-15(17)18-11/h5-9H,3-4H2,1-2H3,(H4,16,17,18,19)
InChIKey	InChI	1.03	GCPJCLJGTVTGRF-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	DB07862
Name	7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE
Groups	experimental
Synonyms	7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE

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
Dihydrofolate reductase 2, mitochondrial	MFLLLNCIVAVSQNMGIGKNGDLPRPPLRNEFRYFQRMTTTSSVEGKQNL...	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