Details of the Drug

General Information of Drug (ID: DM91LGU)

Drug Name

Abexinostat

Synonyms

PCI-24781; 783355-60-2; ABEXINOSTAT; PCI 24781; CRA-024781; CRA 024781; UNII-IYO470654U; 3-((dimethylamino)methyl)-N-(2-(4-(hydroxycarbamoyl)phenoxy)ethyl)benzofuran-2-carboxamide; CRA-02478; Abexinostat(PCI-24781); PCI-24781 (Abexinostat); Abexinostat (PCI-24781); IYO470654U; 3-[(Dimethylamino)methyl]-N-[2-[4-[(hydroxyamino)carbonyl]phenoxy]ethyl]-2-benzofurancarboxamide; 3-((Dimethylamino)methyl)-N-(2-(4-(hydroxycarbamoyl)-phenoxy)ethyl)benzofuran-2-carboxamide

Indication

Disease Entry	ICD 11	Status	REF
Follicular lymphoma	2A80	Phase 3	[1]
Renal cell carcinoma	2C90	Phase 3	[2]
Acute myeloid leukaemia	2A60	Phase 2	[1]
Breast cancer	2C60-2C65	Phase 2	[1]
Diffuse large B-cell lymphoma	2A81	Phase 2	[1]
Gynecologic cancer	2F33-2F76	Phase 2	[1]
Peripheral T-cell lymphoma	2A90.C	Phase 2	[1]
Solid tumour/cancer	2A00-2F9Z	Phase 2	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

397.4

Topological Polar Surface Area (xlogp)

2.2

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C21H23N3O5
IUPAC Name: 3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide
Canonical SMILES: CN(C)CC1=C(OC2=CC=CC=C21)C(=O)NCCOC3=CC=C(C=C3)C(=O)NO
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)
InChIKey: MAUCONCHVWBMHK-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11749858
ChEBI ID: CHEBI:92223
CAS Number: 783355-60-2
DrugBank ID: DB12565
TTD ID: D0V0SL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histone deacetylase (HDAC)	TTBH0VX	NOUNIPROTAC	Modulator	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2	ClinicalTrials.gov (NCT03592472) A Study of Pazopanib With or Without Abexinostat in Patients With Locally Advanced or Metastatic Renal Cell Carcinoma (RENAVIV). U.S. National Institutes of Health.
3	Phase 1 study of the oral histone deacetylase inhibitor abexinostat in patients with Hodgkin lymphoma, non-Hodgkin lymphoma, or chronic lymphocytic leukaemia. Invest New Drugs. 2015 Apr;33(2):423-31.
4	Transcription-independent heritability of induced histone modifications in the mouse preimplantation embryo. PLoS One. 2009 Jun 30;4(6):e6086.
5	Histone Deacetylase inhibitors: new promise in the treatment of immune and inflammatory diseases. Curr Drug Targets. 2010 Nov;11(11):1430-8.
6	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
7	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 8365).
8	Emerging therapies for multiple myeloma. Expert Opin Emerg Drugs. 2009 Mar;14(1):99-127.
9	US patent application no. 2012,0302,505, Cyclodextrin-based polymers for therapeutic delivery.
10	Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.