General
Preferred name
TOYOCAMYCIN
Synonyms
Vengicide ()
Toyocamycin (hydrate) ()
P&D ID
PD039655
CAS
606-58-6
Tags
available
drug candidate
Drug Status
experimental
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 Toyocamycin (Vengicide) is an adenosine analog produced by Streptomyces diastatochromogenes, acts as an XBP1 inhibitor. Toyocamycin blocks RNA synthesis and ribosome function, and induces apoptosis. Toyocamycin affects IRE1¦Á-XBP1 pathway, and inhibits XBP1 mRNA cleavage with an IC50 value of 80 nM with affecting IRE1¦Á auto-phosphorylation. Toyocamycin specifically inhibits CDK9 with an IC50 value of 79 nM[1][2][3].
PRICE 42
DESCRIPTION Toyocamycin (Vengicide) is an adenosine analog produced by Actinomycetes, functioning as an XBP1 inhibitor and inhibiting IRE1??-induced ATP-dependent XBP1 mRNA cleavage (IC50: 80 nM), and induces apoptosis.
DESCRIPTION Toyocamycin (Vengicide) is an adenosine analog produced by Actinomycetes, functioning as an XBP1 inhibitor and inhibiting IRE1α-induced ATP-dependent XBP1 mRNA cleavage (IC50: 80 nM), and induces apoptosis. (TargetMol Bioactive Compound Library)
Cell lines
4
Organisms
4
Compound Sets
8
Cayman Chemical Bioactives
17371
Drug Repurposing Hub
DrugBank
DB13916
Mcule NIBR MoA Box Subset
MCULE-9244603127
MedChem Express Bioactive Compound Library
HY-103248
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
TargetMol Bioactive Compound Library
T17143
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
291.1
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
4
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
2
cLogP
-1.5
TPSA
150.44
Fraction CSP3
0.42
Chiral centers
4.0
Largest ring
6.0
QED
0.52
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Cell Cycle/Checkpoint
Microbiology/virology
Anti-infection
Cell Cycle/DNA Damage
Member status
virtual
Target
ERN1
antibiotic
CDK
Fungal
IRE1
XBP1
MOA
serine/threonine kinase inhibitor
Source data