General
Preferred name
ulixertinib
Synonyms
BVD-523 ()
VRT752271 ()
Ulixertinib (hydrochloride) ()
BVD-523 (hydrochloride) ()
VRT752271 (hydrochloride) ()
Ulixertinib (BVD-523) ()
Ulixertinib hydrochloride ()
BVD-ERK ()
VRT-752271 ()
P&D ID
PD012525
CAS
869886-67-9
1956366-10-1
Tags
available
probe
covalent binder
drug candidate
Drug indication
Pancreatic cancer
Melanoma
Myelodysplastic syndrome
Solid tumour/cancer
Drug Status
investigational
Max Phase
2.0
Probe info
Probe type
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)
DESCRIPTION
Ulixertinib (BVD-523; VRT752271) is a potent, orally active, highly selective, ATP-competitive and reversible covalent inhibitor of ERK1/2 kinases, with an IC50 of <0.3 nM against ERK2. Ulixertinib (BVD-523; VRT752271) inhibits the phosphorylated ERK2 (pERK) and downstream kinase RSK (pRSK) in an A375 melanoma cell line[1][2].
PRICE
79
DESCRIPTION
Ulixertinib hydrochloride (BVD-523 hydrochloride) is a potent, orally active, highly selective, ATP-competitive and reversible covalent inhibitor of ERK1/2 kinases, with an IC50 of <0.3 nM against ERK2. Ulixertinib hydrochloride inhibits the phosphorylated ERK2 (pERK) and downstream kinase RSK (pRSK) in an A375 melanoma cell line[1][2].
PRICE
85
MOA
Inhibitor
(Chemical Probes.org)
DESCRIPTION
VRT752271 is a inhibitor of a mitogen-activated protein kinase 1.
(Enamine Bioactive Compounds)
DESCRIPTION
Ulixertinib (VRT752271) (BVD-523, VRT752271) is an effective and reversible ERK1/ERK2 inhibitor. The IC50 of Ulixertinib is less than 0.3 nM for ERK2.
(TargetMol Bioactive Compound Library)
DESCRIPTION
Ulixertinib hydrochloride (Ulixertinib HCl) is an orally available, selective and potent ERK1/2 inhibitor with anticancer and antitumor activity that inhibits the NB cell cycle and promotes apoptosis, and may be used in the study of solid tumors.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
7
Organisms
0
Compound Sets
18
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
ChEMBL Drugs
Chemical Probes.org
CovalentInDB
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DrugMAP
Enamine Bioactive Compounds
EU-OPENSCREEN Bioactive Compound Library
EUbOPEN Chemogenomics Library
Guide to Pharmacology
PKIDB
ReFrame library
Selleckchem 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)
Target
ERK1
ERK2
ERK
MAPK1
MAPK3
MAPK1, MAPK3
MOA
MAP kinase inhibitor
Pathway
MAPK/ERK Pathway
Stem Cell/Wnt
MAPK
Target class
Kinase, Kinase
Target subclass
CMGC, CMGC
Recommended Cell Concentration
1 uM
Source data
