General
Preferred name
sonidegib
Synonyms
ERISMODEGIB ()
NVP-LDE 225 ()
LDE225 ()
Sonidegib diphosphate ()
LDE225 diphosphate ()
NVP-LDE 225 diphosphate ()
NVP-LDE225 ()
Erismodegib diphosphate ()
NVP-LDE 225 (diphosphate) ()
LDE225 (NVP-LDE225) ()
LDE-225 ()
Odomzo ()
D3582 ()
N-[6-[(2R,6S)-2,6-Dimethyl-4-morphlinyl]-3-pyridinyl]-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide ()
Sonidegib (diphosphate) ()
SONIDEGIB PHOSPHATE ()
Erismodegib (diphosphate) ()
LDE225 (Diphosphate) ()
NVP-LDE225 (diphosphate) ()
Sonidegib (NVP-LDE225) ()
LDE-225 Diphosphate ()
LDE 225 ()
Erismodegib ()
NVP-LDE-225 ()
Sonidegib ()
Erismodegib phosphate ()
LDE 225 (phosphate) ()
P&D ID
PD003504
CAS
956697-53-3
1218778-77-8
1218778-76-7
Tags
available
drug
Approved by
EMA
FDA
First approval
2015
Drug Status
investigational
approved
Drug indication
Medulloblastoma
Skin cancer
Max Phase
Phase 4
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 screening hit (Informer Set)
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)
Cell lines
0
Organisms
1
Compound Sets
26
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
Drug Repurposing Hub
DrugBank
DB09143
DrugBank Approved Drugs
DB09143
DrugCentral
5008
DrugCentral Approved Drugs
5008
DrugMAP
DMM9F25
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
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
50
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
Pathway
GPCR/G protein
Stem Cells
Stem Cell/Wnt
Target
Smoothened
mSmo
hSmo
SMO
SMO antagonist
Hedgehog/Smoothened
Member status
virtual
MOA
Smo Receptor Antagonists
Smoothened receptor antagonist
Indication
basal cell carcinoma (BCC)
Source data