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]
⏷ Show the Full List of Indication(s)
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 397.4
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
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
CHEMBL2103863
CAS Number
783355-60-2
UNII
IYO470654U
DrugBank ID
DB12565
TTD ID
D0V0SL
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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]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
C-C motif chemokine 3 (CCL3) OTW2H3ND CCL3_HUMAN Gene/Protein Processing [4]
C-C motif chemokine 7 (CCL7) OTDIS99H CCL7_HUMAN Gene/Protein Processing [4]
Cyclin-dependent kinase inhibitor 1 (CDKN1A) OTQWHCZE CDN1A_HUMAN Gene/Protein Processing [4]
Growth arrest and DNA damage-inducible protein GADD45 gamma (GADD45G) OT8V1J4M GA45G_HUMAN Gene/Protein Processing [5]
Myc proto-oncogene protein (MYC) OTPV5LUK MYC_HUMAN Gene/Protein Processing [4]
Nuclear factor NF-kappa-B p105 subunit (NFKB1) OTNRRD8I NFKB1_HUMAN Gene/Protein Processing [4]
Poly polymerase 1 (PARP1) OT310QSG PARP1_HUMAN Protein Interaction/Cellular Processes [5]
Thioredoxin reductase 2, mitochondrial OTZQQC3T TRXR2_HUMAN Gene/Protein Processing [4]
Thioredoxin, mitochondrial OTE9A5XQ THIOM_HUMAN Gene/Protein Processing [4]
Transcription factor RelB (RELB) OTU3QYEF RELB_HUMAN Gene/Protein Processing [4]
Molecular Interaction Atlas (MIA) 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 PCI-24781 induces caspase and reactive oxygen species-dependent apoptosis through NF-kappaB mechanisms and is synergistic with bortezomib in lymphoma cells. Clin Cancer Res. 2009 May 15;15(10):3354-65. doi: 10.1158/1078-0432.CCR-08-2365. Epub 2009 May 5.
5 HDAC inhibitor PCI-24781 decreases RAD51 expression and inhibits homologous recombination. Proc Natl Acad Sci U S A. 2007 Dec 4;104(49):19482-7. doi: 10.1073/pnas.0707828104. Epub 2007 Nov 27.