General
Preferred name
XCT790
Synonyms
XCT 790 ()
Compound 12 ()
P&D ID
PD002627
CAS
725247-18-7
Tags
available
drug candidate
Drug indication
Discovery agent
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
XCT-790 is a potent and selective inverse agonist for ERR¦Á with an IC50 value of 0.37 ¦ÌM. XCT-790 induces cell death in chemotherapeutic resistant cancer cells. XCT-790 (Compound 12) is inactive against ERR¦Ã and the estrogen receptors ER¦Á and ER¦Â[1][2].
DESCRIPTION
XCT790 is a selective estrogen-related receptor α (ERRα) antagonist/inverse agonist .
(GtoPdb)
DESCRIPTION
Potent and selective estrogen-related receptor alpha (ERRalpha) inverse agonist.
(LOPAC library)
DESCRIPTION
Potent and selective PPARdelta antagonist
(Tocris Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
15
AdooQ Bioactive Compound Library
Axon Medchem Screening Library
Cayman Chemical Bioactives
CZ-OPENSCREEN Bioactive Library
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
EUbOPEN Chemogenomics Library
Guide to Pharmacology
LOPAC library
Mcule NIBR MoA Box Subset
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
NURSA ligand set
Selleckchem Bioactive Compound Library
Tocris Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
20
Molecular Weight
596.06
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
1
Rotatable Bonds
7
Ring Count
3
Aromatic Ring Count
3
cLogP
6.73
TPSA
97.13
Fraction CSP3
0.22
Chiral centers
0.0
Largest ring
6.0
QED
0.18
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
ERRalpha
Primary Target
Estrogen and Related Receptors
MOA
Inverse Agonist
Estrogen-Related Receptor alpha (ERRalpha, ERR1) Inverse Agonists
Member status
member
Target
ERRa inverse agonist/Apoptosis inducer
Apoptosis related,Estrogen/progestogen Receptor
Estrogen Receptor/ERR
Pathway
Autophagy
Vitamin D Related/Nuclear Receptor
Recommended Cell Concentration
None
Source data
