General
Preferred name
VISMODEGIB
Synonyms
GDC0449 ()
Erivedge ()
GDC-0449 ()
RG 3616 ()
GDC-0449 (Vismodegib) ()
GDC 0449 ()
Vismodegib (GDC-0449) ()
VismodegibVismodegib, free baseGDC-0449V-40502-Chloro-N-(4-chloro-3-(2-pyridl)phenyl)-4-(methylsulfonyl)benzamide ()
NSC-747691 ()
NSC-755986 ()
P&D ID
PD004109
CAS
879085-55-9
Tags
available
drug
Approved by
FDA
EMA
First approval
2012
Drug indication
Primitive neuroectodermal tumour medulloblastoma
Basal cell carcinoma
Drug Status
approved
investigational
Max Phase
4.0
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
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)
DESCRIPTION
Vismodegib (GDC-0449) is an orally active hedgehog pathway inhibitor with an IC50 of 3 nM. Vismodegib also inhibits P-gp, ABCG2 with IC50 values of 3.0 ¦ÌM and 1.4 ¦ÌM, respectively[1][2].
PRICE
48
DESCRIPTION
Vismodegib (GDC-0449) is a hedgehog pathway inhibitor (IC50: 3 nM). It also inhibits P-gp (IC50: 3.0 ??M), ABCG2 (IC50: 1.4 ??M).
DESCRIPTION
Vismodegib (GDC-0449) is a hedgehog pathway inhibitor (IC50: 3 nM). It also inhibits P-gp (IC50: 3.0 μM), ABCG2 (IC50: 1.4 μM).
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
118
Organisms
0
Compound Sets
27
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ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
39
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 inhibitor
Hedgehog
ABCG2
MOA
Hedgehog/Smoothened
hedgehog pathway inhibitor, smoothened receptor antagonist
Indication
basal cell carcinoma (BCC)
Pathway
Autophagy
GPCR/G protein
Membrane Transporter/Ion Channel
Stem Cells
Stem Cell/Wnt
Source data
