General
Preferred name
ulixertinib
Synonyms
VRT752271 ()
BVD-523 ()
BVD-523 (hydrochloride) ()
VRT752271 (hydrochloride) ()
Ulixertinib (hydrochloride) ()
BVD-ERK ()
VRT-752271 ()
Ulixertinib (BVD-523) ()
P&D ID
PD012525
CAS
869886-67-9
1956366-10-1
Tags
available
drug candidate
probe
covalent binder
Drug indication
Melanoma
Solid tumour/cancer
Pancreatic cancer
Drug Status
investigational
Max Phase
2.0
Probe info
Probe selectivity
family-selective
Probe type
P&D approved
experimental probe
Probe sources
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Probe control not defined
Orthogonal probes
5
No orthogonal probes found
Similar probes
8
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
Ulixertinib is an orally available, ATP-competitive inhibitor of the serine/threonine kinases extracellular signal-regulated kinase (ERK) 1 (MAPK3) and 2 (MAPK1), being investigated for anticancer activity in solid tumours and hematological malignancies carrying mutations in the MAPK signaling pathway, which renders them highly reliant on ERK for survival and growth. It is being developed by BioMed Valley Discoveries. This is one of the compounds claimed in patent WO2005113541 , where it is identified as I-9.
The INN record specifies the (1S) stereoisomer as ulixertinib. (GtoPdb)
The INN record specifies the (1S) stereoisomer as ulixertinib. (GtoPdb)
MOA
Inhibitor
(Chemical Probes.org)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
7
Organisms
0
Compound Sets
17
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
ChEMBL Drugs
Chemical Probes.org
CovalentInDB
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
High-quality chemical probes
PKIDB
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
33
Molecular Weight
432.11
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
4
Rotatable Bonds
7
Ring Count
3
Aromatic Ring Count
3
cLogP
4.67
TPSA
90.04
Fraction CSP3
0.24
Chiral centers
1.0
Largest ring
6.0
QED
0.44
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
MAPK
MAPK/ERK Pathway
Stem Cell/Wnt
Target
ERK2
ERK
MAPK1
MAPK3
MAPK1, MAPK3
MOA
MAP kinase inhibitor
Target class
Kinase, Kinase
Target subclass
CMGC, CMGC
Source data
