General
Preferred name
sonidegib
Synonyms
ERISMODEGIB ()
NVP-LDE 225 ()
NVP-LDE225 ()
LDE225 ()
LDE225 diphosphate ()
NVP-LDE 225 diphosphate ()
Erismodegib diphosphate ()
NVP-LDE 225 (diphosphate) ()
LDE225 (NVP-LDE225) ()
SONIDEGIB PHOSPHATE ()
Sonidegib (diphosphate) ()
Erismodegib (diphosphate) ()
LDE225 (Diphosphate) ()
NVP-LDE225 (diphosphate) ()
LDE-225 Diphosphate ()
Sonidegib (NVP-LDE225) ()
Sonidegib diphosphate ()
SonidegibLDE-225LDE225OdomzoD3582N-[6-[(2R,6S)-2,6-Dimethyl-4-morphlinyl]-3-pyridinyl]-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide ()
LDE 225 (phosphate) ()
Erismodegib ()
LDE-225 ()
LDE 225 ()
NVP-LDE-225 ()
Sonidegib ()
Erismodegib phosphate ()
Odomzo ()
P&D ID
PD003504
CAS
1218778-76-7
956697-53-3
1218778-77-8
Tags
available
drug
Approved by
EMA
FDA
First approval
2015
Drug indication
Skin cancer
breast neoplasm
Basal cell carcinoma
Medulloblastoma
Drug Status
approved
investigational
Max Phase
4.0
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 Sonidegib (INN formerly erismodegib, but replaced in 2012) is an orally active inhibitor of the hedgehog signalling pathway, acting as an antagonist of the class frizzled GPCR, smoothened (SMO) .
The first hedgehog pathway inhibitor to be approved was (2012). (GtoPdb)
DESCRIPTION Sonidegib (Erismodegib) is a potent and selective Smo antagonist with IC50 of 1.3 nM and 2.5 nM for mouse and human Smo in binding assay, respectively[1].
PRICE 74
DESCRIPTION Sonidegib diphosphate (Erismodegib diphosphate) is a potent and selective Smo antagonist with IC50 of 1.3 nM and 2.5 nM for mouse and human Smo in binding assay, respectively[1].
PRICE 59
DESCRIPTION screening hit (Informer Set)
DESCRIPTION Sonidegib is an antineoplastic agent used for the treatment of locally advanced recurrent basal cell carcinoma following surgery and radiation therapy. Sonidegib effectively inhibits the regulator called smoothened, preventing the hedgehog pathway from functioning. (Enamine Bioactive Compounds)
DESCRIPTION Sonidegib (Erismodegib), a Smoothened (Smo) antagonist, inhibits Hedgehog (Hh) signaling with IC50 of 1.3 nM (mouse) and 2.5 nM (human), respectively. (TargetMol Bioactive Compound Library)
DESCRIPTION LDE225 Diphosphate (NVP-LDE225; Erismodegib) is a Smoothened (Smo) antagonist, inhibiting Hedgehog (Hh) signaling with IC50 of 1.3 nM (mouse) and 2.5 nM (human), respectively. (BOC Sciences Bioactive Compounds)
DESCRIPTION Sonidegib diphosphate (LDE225 diphosphate) is a selective antagonist of Smo that inhibits murine Smo (IC50:1.3 nM) and human Smo (IC50:2.5 nM). (TargetMol Bioactive Compound Library)
Cell lines
0
Organisms
1
Compound Sets
28
AdooQ Bioactive Compound Library
A10520
A12774
Axon Medchem Screening Library
1619
BOC Sciences Bioactive Compounds
lde-225-diphosphate-cas-1218778-77-8-item-84-462710
Cayman Chemical Bioactives
16263
ChEMBL Approved Drugs
CHEMBL2105737
CHEMBL3137317
ChEMBL Drugs
CHEMBL2105737
CHEMBL3137317
Concise Guide to Pharmacology 2017/18
8199
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB09143
DrugBank Approved Drugs
DB09143
DrugCentral
5008
DrugCentral Approved Drugs
5008
DrugMAP
DMM9F25
Enamine Bioactive Compounds
EBC-11443
EU-OPENSCREEN Bioactive Compound Library
EOS101358
Guide to Pharmacology
8199
Informer Set
636425
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL2105737
Mcule NIBR MoA Box Subset
MCULE-7048626392
MedChem Express Bioactive Compound Library
HY-16582A
HY-16582
NCATS Inxight Approved Drugs
0RLU3VTK5M
NIH Approved Oncology Drugs
440797627
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Selleckchem Bioactive Compound Library
LDE225(NVP-LDE225)
TargetMol Bioactive Compound Library
T1926
T15727
ZINC Tool Compounds
ZINC000068202099
External IDs
54
Properties
(calculated by RDKit )
Molecular Weight
485.19
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
4
Aromatic Ring Count
3
cLogP
5.82
TPSA
63.69
Fraction CSP3
0.31
Chiral centers
2.0
Largest ring
6.0
QED
0.49
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Compound status
probe
Member status
virtual
MOA
Smo Receptor Antagonists
Smoothened receptor antagonist
Indication
basal cell carcinoma (BCC)
Target
SMO
SMO antagonist
Hedgehog/Smoothened
Smoothened
hSmo
mSmo
Pathway
GPCR/G protein
Stem Cells
Stem Cell/Wnt
Source data