CHQ

CYCLO-(L-HISTIDINE-L-PROLINE) INHIBITOR

Created:	2004-06-24
Last modified:	2020-06-05

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2 entries where CHQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	2
Bond Count	33
Aromatic Bond Count	5

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Chemical Component Summary
Name	CYCLO-(L-HISTIDINE-L-PROLINE) INHIBITOR
Synonyms	(3S,8AR)-3-(1H-IMIDAZOL-5-YLMETHYL)HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE
Systematic Name (OpenEye OEToolkits)	(3S,8aS)-3-(3H-imidazol-4-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-dione
Formula	C₁₁ H₁₄ N₄ O₂
Molecular Weight	234.254
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1N3CCCC3C(=O)NC1Cc2cncn2
SMILES	CACTVS	3.341	O=C1N[CH](Cc2[nH]cnc2)C(=O)N3CCC[CH]13
SMILES	OpenEye OEToolkits	1.5.0	c1c([nH]cn1)CC2C(=O)N3CCCC3C(=O)N2
Canonical SMILES	CACTVS	3.341	O=C1N[C@@H](Cc2[nH]cnc2)C(=O)N3CCC[C@@H]13
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1c([nH]cn1)C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2
InChI	InChI	1.03	InChI=1S/C11H14N4O2/c16-10-9-2-1-3-15(9)11(17)8(14-10)4-7-5-12-6-13-7/h5-6,8-9H,1-4H2,(H,12,13)(H,14,16)/t8-,9-/m0/s1
InChIKey	InChI	1.03	NAKUGCPAQTUSBE-IUCAKERBSA-N

Drug Info: DrugBank

DrugBank ID	DB02414
Name	Cyclo(his-pro)
Groups	experimental
Synonyms	cyclo(histidyl-prolyl) Cyclo(his-pro) (3S,8aS)-3-(1H-Imidazol-4-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione Histidyl-proline diketopiperazine Histidyl-proline-diketopiperazine cyclo(L-His-L-Pro)
Categories	Amino Acids, Peptides, and Proteins Antioxidants Biological Factors Compounds used in a research, industrial, or household setting Membrane Transport Modulators Neurotransmitter Agents Neurotransmitter Uptake Inhibitors Peptides Protective Agents
CAS number	53109-32-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Chitinase B	MSTRKAVIGYYFIPTNQINNYTETDTSVVPFPVSNITPAKAKQLTHINFS...	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