Details of the Drug

General Information of Drug (ID: DMGL0Q2)

Drug Name
AN-9
Synonyms
Pivanex; Pivalyloxymethyl butyrate; AN 9; AN9; AN 9 (ion exchanger); Butanoyloxymethyl 2,2-dimethylpropanoate; Butanoicacid, (2,2-dimethyl-1-oxopropoxy)methyl ester; N-(5-amino-9,10-dioxoanthracen-1-yl)acetamide; N-(5-amino-9,10-dioxo-9,10-dihydroanthracen-1-yl)acetamide; ((2,2-Dimethylpropanoyl)oxy)methyl butanoate;1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-9,10-DIONE
Indication
Disease Entry ICD 11 Status REF
Melanoma 2C30 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 202.25
Topological Polar Surface Area (xlogp) 2.3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C10H18O4
IUPAC Name
butanoyloxymethyl 2,2-dimethylpropanoate
Canonical SMILES
CCCC(=O)OCOC(=O)C(C)(C)C
InChI
InChI=1S/C10H18O4/c1-5-6-8(11)13-7-14-9(12)10(2,3)4/h5-7H2,1-4H3
InChIKey
GYKLFBYWXZYSOW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
60748
CAS Number
122110-53-6
DrugBank ID
DB05103
TTD ID
D0MP2U

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histone deacetylase 1 (HDAC1) TT6R7JZ HDAC1_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Melanoma
ICD Disease Classification 2C30
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Histone deacetylase 1 (HDAC1) DTT HDAC1 6.27E-01 0.11 0.33
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004320)
2 Anticancer activities of histone deacetylase inhibitors. Nat Rev Drug Discov. 2006 Sep;5(9):769-84.
3 Protein methyltransferases as a target class for drug discovery. Nat Rev Drug Discov. 2009 Sep;8(9):724-32.
4 Hughes B: 2009 FDA drug approvals. Nat Rev Drug Discov. 2010 Feb;9(2):89-92.
5 Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.
6 Emerging drugs for the therapy of primary and post essential thrombocythemia, post polycythemia vera myelofibrosis. Expert Opin Emerg Drugs. 2009 Sep;14(3):471-9.
7 NVP-LAQ824 is a potent novel histone deacetylase inhibitor with significant activity against multiple myeloma. Blood. 2003 Oct 1;102(7):2615-22.
8 Emerging therapies for multiple myeloma. Expert Opin Emerg Drugs. 2009 Mar;14(1):99-127.
9 Emerging disease-modifying therapies for the treatment of motor neuron disease/amyotropic lateral sclerosis. Expert Opin Emerg Drugs. 2007 May;12(2):229-52.
10 2011 Pipeline of 4SC AG.