Details of the Drug

General Information of Drug (ID: DM1Z74X)

Drug Name
Tacedinaline
Synonyms
Acetyldinaline; Tacedinalina; Goe 5549; PD 123654; Ci-994; Goe-5549; PD-123654; Tacedinalina [INN-Spanish]; Tacedinaline [USAN:INN]; C.I. 994; Tacedinaline (USAN/INN); 4-(Acetylamino)-N-(2-aminophenyl)benzamide; 4-acetamido-N-(2-aminophenyl)benzamide; 4-acetamido-n-(2-aminophenyl)benzamid; 4-acetylamino-N-(2'-aminophenyl)benzamide
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 269.3
Logarithm of the Partition Coefficient (xlogp) 1.3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C15H15N3O2
IUPAC Name
4-acetamido-N-(2-aminophenyl)benzamide
Canonical SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N
InChI
InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
InChIKey
VAZAPHZUAVEOMC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2746
ChEBI ID
CHEBI:90195
CAS Number
112522-64-2
DrugBank ID
DB12291
TTD ID
D0W9NH
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

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]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Centrosomal protein of 68 kDa (CEP68) OTZDM4J1 CEP68_HUMAN Gene/Protein Processing [3]
Ceramide glucosyltransferase OTRT5P5I CEGT_HUMAN Gene/Protein Processing [3]
Enhancer of filamentation 1 (NEDD9) OTGCFN4M CASL_HUMAN Gene/Protein Processing [3]
ERBB receptor feedback inhibitor 1 (ERRFI1) OT7VZ2IZ ERRFI_HUMAN Gene/Protein Processing [3]
G-protein coupled receptor 183 (GPR183) OTRILX7G GP183_HUMAN Gene/Protein Processing [3]
Glycine dehydrogenase (GLDC) OTVVDNW0 GCSP_HUMAN Gene/Protein Processing [3]
Hairy/enhancer-of-split related with YRPW motif protein 1 (HEY1) OTJQL0I3 HEY1_HUMAN Gene/Protein Processing [3]
Interferon alpha-inducible protein 6 (IFI6) OTWOOAM4 IFI6_HUMAN Gene/Protein Processing [3]
Interleukin-3 receptor subunit alpha (IL3RA) OTDC3Y8O IL3RA_HUMAN Gene/Protein Processing [3]
Isopentenyl-diphosphate Delta-isomerase 1 (IDI1) OTGM06VJ IDI1_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Solid tumour/cancer
ICD Disease Classification 2A00-2F9Z
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 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: 8367).
2 Histone deacetylase inhibitors in cancer therapy: latest developments, trends and medicinal chemistry perspective. Anticancer Agents Med Chem. 2007 Sep;7(5):576-92.
3 Development and validation of the TGx-HDACi transcriptomic biomarker to detect histone deacetylase inhibitors in human TK6 cells. Arch Toxicol. 2021 May;95(5):1631-1645. doi: 10.1007/s00204-021-03014-2. Epub 2021 Mar 26.