P7D

Resminostat

Created:	2019-08-02
Last modified:	2020-06-05

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2 entries where P7D is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	11

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Chemical Component Summary
Name	Resminostat
Synonyms	(2E)-3-[1-({4-[(dimethylamino)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]-N-hydroxyprop-2-enamide
Systematic Name (OpenEye OEToolkits)	(~{E})-3-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpyrrol-3-yl]-~{N}-oxidanyl-prop-2-enamide
Formula	C₁₆ H₁₉ N₃ O₄ S
Molecular Weight	349.405
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(ccc1CN(C)C)S(n2ccc(\C=C\C(=O)NO)c2)(=O)=O
SMILES	CACTVS	3.385	CN(C)Cc1ccc(cc1)[S](=O)(=O)n2ccc(C=CC(=O)NO)c2
SMILES	OpenEye OEToolkits	2.0.7	CN(C)Cc1ccc(cc1)S(=O)(=O)n2ccc(c2)C=CC(=O)NO
Canonical SMILES	CACTVS	3.385	CN(C)Cc1ccc(cc1)[S](=O)(=O)n2ccc(\C=C\C(=O)NO)c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(C)Cc1ccc(cc1)S(=O)(=O)n2ccc(c2)/C=C/C(=O)NO
InChI	InChI	1.03	InChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+
InChIKey	InChI	1.03	FECGNJPYVFEKOD-VMPITWQZSA-N

Drug Info: DrugBank

DrugBank ID	DB12392
Name	Resminostat
Groups	investigational
Description	Resminostat has been used in trials studying the treatment of Sezary Syndrome, Mycosis fungoides, Hodgkin's Lymphoma, Hepatocellular Carcinoma, and Lymphoma, T-Cell, Cutaneous, among others.
Synonyms	Resminostat mesylate Resminostat
Categories	Amides Amines Hydroxy Acids Hydroxylamines Sulfones Sulfur Compounds
CAS number	864814-88-0

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Histone deacetylase 1	MAQTQGTRRKVCYYYDGDVGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRK...	unknown	inhibitor

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