Details of the Drug

General Information of Drug (ID: DMIMPDL)

Drug Name
PCI-34051
Synonyms
PCI-34259; PCI-34260; PCI-40505; PCI-43744; PCI-45159; PCI-47634; PCI-48000; PCI-48001; PCI-48002; PCI-48003; PCI-48004; PCI-48006; PCI-48007; PCI-48008; PCI-48009; PCI-48010; PCI-48011; PCI-48012; PCI-48013; PCI-48018; PCI-48036; PCI-48039; HDAC 8 inhibitors (cancer/inflammation); HDAC 8 inhibitors (cancer/inflammation), Pharmacyclics
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 296.32
Topological Polar Surface Area (xlogp) 2.4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H16N2O3
IUPAC Name
N-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboxamide
Canonical SMILES
COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO
InChI
InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
InChIKey
AJRGHIGYPXNABY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24753719
ChEBI ID
CHEBI:94192
CAS Number
950762-95-5
TTD ID
D0Q5MC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histone deacetylase 8 (HDAC8) TTT6LFV HDAC8_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 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. (Target id: 2619).
2 Clinical pipeline report, company report or official report of NatureWise Biotech & Medicals.
3 HDAC inhibitors: a 2013-2017 patent survey.Expert Opin Ther Pat. 2018 Apr 19:1-17.