General
Preferred name
TALADEGIB
Synonyms
LY2940680 ()
LY 2940680 ()
Taladegib hydrochloride ()
Taladegib (LY2940680) ()
LY-2940680 ()
P&D ID
PD012766
CAS
1258861-20-9
Tags
available
drug candidate
Drug indication
Solid tumour/cancer
Ovarian cancer
Drug Status
investigational
Max Phase
2.0
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 Taladegib (LY2940680; Eli Lilly/Endeavor Biomedicines) is an orally active SMO antagonist that was developed as an antitumour agent . (GtoPdb)
DESCRIPTION Taladegib is an inhibitor of Smoothened (Smo) receptor and potently inhibits Hedgehog (Hh) signaling. It inhibits cell growth and proliferation in tumor cell lines. (BOC Sciences Bioactive Compounds)
Cell lines
2
Organisms
0
Compound Sets
16
AdooQ Bioactive Compound Library
A11048
Axon Medchem Screening Library
2196
BOC Sciences Bioactive Compounds
taladegib-cas-1258861-20-9-item-286420
Cayman Chemical Bioactives
16264
ChEMBL Drugs
CHEMBL2142592
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB12550
DrugMAP
DMTJWIQ
EU-OPENSCREEN Bioactive Compound Library
EOS100423
Guide to Pharmacology
10333
JUMP-Target 1 Compound Set
49848070
MedChem Express Bioactive Compound Library
HY-13242
ReFrame library
Selleckchem Bioactive Compound Library
ly2940680
TargetMol Bioactive Compound Library
T2666
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
512.19
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
5
Aromatic Ring Count
4
cLogP
4.93
TPSA
67.15
Fraction CSP3
0.31
Chiral centers
0.0
Largest ring
6.0
QED
0.36
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
GPCR/G protein
Stem Cells
Stem Cell/Wnt
Target
Smoothened
DHH, IHH, SMO
SMO antagonist
DHH
SMO
Hedgehog/Smoothened
MOA
Hedgehog/Smoothened antagonist
Smoothened receptor antagonist
Source data