MQU

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

Created:	2002-07-19
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where MQU is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	15

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-DIAMINE
Systematic Name (OpenEye OEToolkits)	7-(1,3-dimethoxypropan-2-yl)pyrrolo[3,2-f]quinazoline-1,3-diamine
Formula	C₁₅ H₁₉ N₅ O₂
Molecular Weight	301.344
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n3c2ccc1c(ccn1C(COC)COC)c2c(nc3N)N
SMILES	CACTVS	3.341	COCC(COC)n1ccc2c1ccc3nc(N)nc(N)c23
SMILES	OpenEye OEToolkits	1.5.0	COCC(COC)n1ccc2c1ccc3c2c(nc(n3)N)N
Canonical SMILES	CACTVS	3.341	COCC(COC)n1ccc2c1ccc3nc(N)nc(N)c23
Canonical SMILES	OpenEye OEToolkits	1.5.0	COCC(COC)n1ccc2c1ccc3c2c(nc(n3)N)N
InChI	InChI	1.03	InChI=1S/C15H19N5O2/c1-21-7-9(8-22-2)20-6-5-10-12(20)4-3-11-13(10)14(16)19-15(17)18-11/h3-6,9H,7-8H2,1-2H3,(H4,16,17,18,19)
InChIKey	InChI	1.03	MQTGHZCEDQNMOZ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08203
Name	7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-DIAMINE
Groups	experimental
Synonyms	7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-DIAMINE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Dihydrofolate reductase, 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