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

2D diagram of P7D

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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
Categories	Amides Amines Hydroxy Acids Hydroxylamines Sulfones Sulfur Compounds
CAS number	864814-88-0

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4296717
PubChem	11609955
ChEMBL	CHEMBL4296717

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.