LZE

4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide

Created:	2008-05-20
Last modified:	2011-06-04

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2 entries where LZE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	11

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Chemical Component Summary
Name	4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide
Systematic Name (OpenEye OEToolkits)	4-[(2,6-dichlorophenyl)carbonylamino]-N-piperidin-4-yl-1H-pyrazole-3-carboxamide
Formula	C₁₆ H₁₇ Cl₂ N₅ O₂
Molecular Weight	382.244
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NC1CCNCC1)c3nncc3NC(=O)c2c(Cl)cccc2Cl
SMILES	CACTVS	3.341	Clc1cccc(Cl)c1C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3
SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(c(c1)Cl)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)Cl
Canonical SMILES	CACTVS	3.341	Clc1cccc(Cl)c1C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(c(c1)Cl)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)Cl
InChI	InChI	1.03	InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
InChIKey	InChI	1.03	OVPNQJVDAFNBDN-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08142
Name	AT-7519
Groups	investigational
Description	AT7519 is a selective inhibitor of certain Cyclin Dependent Kinases (CDKs) leading to tumour regression. It is developed by Astex for the treatment of solid tumours and haematological malignancies.
Synonyms	4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide AT-7519
Indication	Investigated for use/treatment in leukemia (unspecified), lymphoma (unspecified), myelodysplastic syndrome, and solid tumors.
Categories	Cyclin-Dependent Kinases, antagonists & inhibitors
CAS number	844442-38-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cyclin-dependent kinase 2	MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIR...	unknown
Cyclin-dependent kinase 1	MEDYTKIEKIGEGTYGVVYKGRHKTTGQVVAMKKIRLESEEEGVPSTAIR...	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