General
Preferred name
agerafenib
Synonyms
Agerafenib hydrochloride ()
CEP-32496 (hydrochloride) ()
RXDX-105 hydrochloride ()
CEP-32496 ()
CEP 32496 ()
RXDX-105 ()
CEP32496 ()
AB-024 ()
AC-013773 ()
RXDX 105 ()
Agerafenib (RXDX-105) ()
CEP-32496 hydrochloride ()
Agerafenib ()
P&D ID
PD010266
CAS
1188910-76-0
1227678-26-3
Tags
drug candidate
available
Drug indication
Solid tumour/cancer
Drug Status
investigational
Max Phase
2.0
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
The discovery and synthesis of CEP-32496 is described in where it is compound 40. CEP-32496 is an orally bioavailable B-Raf proto-oncogene, serine/threonine kinase (BRAF) inhibitor with potential antineoplastic activity, which selectively inhibits the activity of the mutated form (V600E) of BRAF kinase .
DESCRIPTION
The discovery and synthesis of agerafenib (CEP-32496) is described in where it is compound 40. Agerafenib is an orally bioavailable B-Raf proto-oncogene, serine/threonine kinase (BRAF) inhibitor with potential antineoplastic activity, which selectively inhibits the activity of the mutated form (V600E) of BRAF kinase .
(GtoPdb)
DESCRIPTION
CEP-32496, also known as AC013773, is an orally available v-raf murine sarcoma viral oncogene homolog B1 (B-raf) serine/threonine protein kinase inhibitor with potential antineoplastic activity. CEP-32496 specifically and selectively inhibits the activity of the mutated form (V600E) of B-raf kinase. This inhibits the activation of the RAF/mitogen-activated protein kinase kinase (MEK)/extracellular signal-related kinase (ERK) signaling pathway and may result in a decrease in the proliferation of tumor cells expressing the mutated B-raf gene. The Raf mutation BRAF V600E, in which valine is substituted for glutamic acid at residue 600, is frequently found in a variety of human tumors and results in the constitutive activation of the RAF/MEK/ERK signaling pathway that regulates cellular proliferation and survival.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
12
Organisms
0
Compound Sets
18
AdooQ Bioactive Compound Library
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
ChEMBL Drugs
Clinical kinase drugs
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
LSP-MoA library (Laboratory of Systems Pharmacology)
LSP-OptimalKinase library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
PKIDB
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Molecular Weight
517.16
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
2
Rotatable Bonds
7
Ring Count
4
Aromatic Ring Count
4
cLogP
5.91
TPSA
120.63
Fraction CSP3
0.25
Chiral centers
0.0
Largest ring
6.0
QED
0.31
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Raf
ABL1
c-Kit
RET
PDGFR??
LCK
BRAF, RAF1
c-Kit,c-RET,CSF-1R,PDGFR,Raf
Pathway
MAPK/ERK Pathway
Angiogenesis
Apoptosis
Tyrosine Kinase/Adaptors
Cytoskeletal Signaling
Chromatin/Epigenetic
Targets
BRAF,CRAF
MOA
Raf inhibitor
Source data
