General
Preferred name
TACEDINALINE
Synonyms
CI 994 ()
N-ACETYLDINALINE ()
Goe-5549 ()
PD-123654 ()
Acetyldinaline ()
CI994 ()
CI994 (Tacedinaline) ()
Tacedinaline hydrochloride ()
CI-994 ()
Tacedinaline (CI994) ()
PD-123654, GOE-5549, Acetyldinaline ()
PD 123654 ()
GOE 5549 ()
P&D ID
PD003432
CAS
112522-64-2
1299346-14-7
Tags
available
obsolete probe
drug candidate
Drug indication
Solid tumour/cancer
Drug Status
investigational
Max Phase
Phase 3
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Tacedinaline inhibits the histone deacetylase enzyme HDAC1 , and is reported to have antitumour activity in preclinical studies . (GtoPdb)
DESCRIPTION inhibitor of HDAC1, HDAC2, HDAC3, HDAC6, and HDAC8 (Informer Set)
DESCRIPTION Thioredoxin-1 inhibitor (Tocris Bioactive Compound Library)
DESCRIPTION Class I histone deacetylase inhibitor; orally active (Tocriscreen Plus)
DESCRIPTION Tacedinaline is a histone deacetylase (HDAC) inhibitor. It can promote hepatic differentiation in hPSCs. (BOC Sciences Bioactive Compounds)
Cell lines
15
Organisms
0
Compound Sets
22
AdooQ Bioactive Compound Library
Axon Medchem Screening Library
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugMAP
DrugMatrix
Enamine BioReference Compounds
Guide to Pharmacology
Informer Set
LSP-MoA library (Laboratory of Systems Pharmacology)
Mcule NIBR MoA Box Subset
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
Obsolete Compounds
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
Tocris Bioactive Compound Library
Tocriscreen Plus
External IDs
33
Properties
(calculated by RDKit )
Molecular Weight
269.12
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
2
cLogP
2.48
TPSA
84.22
Fraction CSP3
0.07
Chiral centers
0.0
Largest ring
6.0
QED
0.75
Structural alerts
1
historic compounds (Chemical Probes.org)
Obsolete
Custom attributes
(extracted from source data)
Target
HDAC1
HDAC2
HDAC3
HDAC6
HDAC8
HDAC
Compound status
probe
Target Type
Enzymes
Pathway
Chromatin/Epigenetic
DNA Damage/DNA Repair
NF-??b
Apoptosis
Cell Cycle/DNA Damage
Epigenetics
Primary Target
Class I HDACs
MOA
Inhibitor
HDAC 1/2/3
HDAC inhibitor
Member status
member
Source data