General
Preferred name
VISMODEGIB
Synonyms
GDC0449 ()
GDC-0449 ()
Erivedge ()
RG 3616 ()
GDC-0449 (Vismodegib) ()
GDC 0449 ()
Vismodegib, free base ()
V-4050 ()
2-Chloro-N-(4-chloro-3-(2-pyridl)phenyl)-4-(methylsulfonyl)benzamide ()
Vismodegib (GDC-0449) ()
NSC-755986 ()
NSC-747691 ()
P&D ID
PD004109
CAS
879085-55-9
Tags
natural product
drug
available
Approved by
EMA
FDA
First approval
2012
Drug Status
investigational
approved
Drug indication
Basal cell carcinoma
Primitive neuroectodermal tumour medulloblastoma
Max Phase
Phase 4
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
Vismodegib inhibits smoothened homolog (SMO), a constituent of the Hedgehog signalling pathway which is essential for proper embryonic development. This pathway is also involved in the maintenance and regeneration of adult tissues by regulating adult stem cells and has been implicated in the development of some cancers.
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
118
Organisms
0
Compound Sets
26
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ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
36
Molecular Weight
420.01
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
3
cLogP
4.71
TPSA
76.13
Fraction CSP3
0.05
Chiral centers
0.0
Largest ring
6.0
QED
0.66
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
SMO
Hedgehog
ABCG2
Hedgehog inhibitor
Pathway
GPCR/G protein
Stem Cells
Membrane Transporter/Ion Channel
Autophagy
Stem Cell/Wnt
MOA
Hedgehog/Smoothened
hedgehog pathway inhibitor, smoothened receptor antagonist
Indication
basal cell carcinoma (BCC)
Source data
