General Information of the Compound
Compound ID
CP0038690
Compound Name
(2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide
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Synonyms
(2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide
(E)-N-hydroxy-3-(3-(N-phenylsulfamoyl)phenyl)acrylamide
(E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide
414864-00-9
866323-14-0
Beleodaq
Belinostat
Belinostat (PXD101)
Belinostat(Random Configuration)
CHEBI:61076
F4H96P17NZ
N-HYDROXY-3-(3-PHENYLSULFAMOYLPHENYL)ACRYLAMIDE
N-HYDROXY-3-[3-[(PHENYLAMINO)SULFONYL]PHENYL]-2-PROPENAMIDE
NSC726630
PDX-101
PX 105684
PX-105684
PX105684
PXD 101
PXD-101
PXD101
UNII-F4H96P17NZ
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Structure
Formula
C15H14N2O4S
Molecular Weight
318.354
Canonical SMILES
ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1
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InChI
InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+
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InChIKey
NCNRHFGMJRPRSK-MDZDMXLPSA-N
CAS
414864-00-9
Physicochemical Property
logP
2.006
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
95.5
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 6918638
SID: 14899204
ChEMBL ID
CHEMBL408513
DrugBank ID
DB05015
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00991, Histone deacetylase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 18 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.376 nM
2 IC50 = 15 nM
3 IC50 = 20 nM
4 IC50 = 34 nM
5 IC50 = 63 nM
6 Ki = 0.85 nM
7 Ki = 0.9 nM
8 Ki = 26 nM
Protein ID: PT00995, Histone deacetylase 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000131 HEK293-F Homo sapiens (Human)  1
1
IC50 = 7.3 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 46 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1.5 nM
2 Ki = 19 nM
Protein ID: PT01213, Histone deacetylase 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 15 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 9.85 nM
2 IC50 = 27 nM
3 IC50 = 82 nM
4 IC50 = 6432 nM
5 Ki = 1.6 nM
6 Ki = 10 nM
Clinical Information about the Compound
Drug 1 ( PDX-101 )
Drug Name PDX-101
Company National Cancer Institute (NCI)
Indication
Solid tumour/cancer
Phase 2
Haematological malignancy
Phase 1
Peripheral T-cell lymphoma
Phase 1
Solid tumour/cancer
Phase 1