General Information of the Compound
Compound ID
CP0008445
Compound Name
3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoyl)phenoxy]ethyl}-1-benzofuran-2-carboxamide
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Synonyms
3-((Dimethylamino)methyl)-N-(2-(4-(hydroxycarbamoyl)-phenoxy)ethyl)benzofuran-2-carboxamide
3-((dimethylamino)methyl)-N-(2-(4-(hydroxycarbamoyl)phenoxy)ethyl)benzofuran-2-carboxamide
3-[(Dimethylamino)methyl]-N-[2-[4-[(hydroxyamino)carbonyl]phenoxy]ethyl]-2-benzofurancarboxamide
783355-60-2
ABEXINOSTAT
Abexinostat
Abexinostat (PCI-24781)
Abexinostat(PCI-24781)
CRA 024781
CRA-02478
CRA-024781
IYO470654U
PCI 24781
PCI-24781
PCI-24781 (Abexinostat)
UNII-IYO470654U
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Structure
Formula
C21H23N3O5
Molecular Weight
397.431
Canonical SMILES
CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc1ccc(cc1)C(=O)NO
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InChI
InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)
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InChIKey
MAUCONCHVWBMHK-UHFFFAOYSA-N
CAS
783355-60-2
Physicochemical Property
logP
2.4222
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
104.04
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 11749858
SID: 16857486
ChEMBL ID
CHEMBL2103863
DrugBank ID
DB12565
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: PT01443, Polyamine deacetylase HDAC10
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 7.943 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3.981 nM
2 IC50 = 52 nM
3 Ki = 20 nM
4 Ki = 24 nM
Clinical Information about the Compound
Drug 1 ( Abexinostat )
Drug Name Abexinostat
Company Pharmacyclics
Indication
Follicular lymphoma
Phase 3
Renal cell carcinoma
Phase 3
Acute myeloid leukaemia
Phase 2
Breast cancer
Phase 2
Diffuse large B-cell lymphoma
Phase 2
Gynecologic cancer
Phase 2
Peripheral T-cell lymphoma
Phase 2
Solid tumour/cancer
Phase 2