Details of the Drug

General Information of Drug (ID: DMJIB89)

Drug Name
Remetinostat
Synonyms
UNII-37NT056AT4; 946150-57-8; Methylparaben suberohydroxamic acid phenyl ester; 37NT056AT4; Remetinostat [USAN]; Remetinostat (USAN/INN); CHEMBL3707219; SCHEMBL12682510; DTXSID20647779; NSC748492; Benzoic acid, 4-((8-(hydroxyamino)-1,8-dioxooctyl)oxy)-, methyl ester; NSC-748492; D10977; methyl 4-[8-(hydroxyamino)-8-oxooctanoyl]oxybenzoate; Methyl 4-{[8-(hydroxyamino)-8-oxooctanoyl]oxy}benzoate; Benzoic acid,8-dioxooctyl]oxy]-, methyl ester (MP-shape)
Indication
Disease Entry ICD 11 Status REF
Basal cell carcinoma 2C32 Phase 2 [1]
Cutaneous T-cell lymphoma 2B01 Phase 2 [2]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 323.34
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C16H21NO6
IUPAC Name
methyl 4-[8-(hydroxyamino)-8-oxooctanoyl]oxybenzoate
Canonical SMILES
COC(=O)C1=CC=C(C=C1)OC(=O)CCCCCCC(=O)NO
InChI
InChI=1S/C16H21NO6/c1-22-16(20)12-8-10-13(11-9-12)23-15(19)7-5-3-2-4-6-14(18)17-21/h8-11,21H,2-7H2,1H3,(H,17,18)
InChIKey
XDZAHHULFQIBFE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24875489
CAS Number
946150-57-8
UNII
37NT056AT4
DrugBank ID
DB14869
TTD ID
D00NBJ
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histone deacetylase (HDAC) TTBH0VX NOUNIPROTAC Inhibitor [2]
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 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)