General
Preferred name
TAK-441
Synonyms
P&D ID
PD046663
CAS
1186231-83-3
Tags
available
drug candidate
Drug indication
Solid tumour/cancer
Drug Status
investigational
Max Phase
Phase 1
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
TAK-441 is an inhibitor of the hedgehog signalling pathway, acting as an antagonist of the class frizzled GPCR, smoothened (SMO) .
(GtoPdb)
DESCRIPTION
TAK-441 is a potent inhibitor of Hedgehog (Hh) signaling pathway, TAK-441 is also a novel pyrrolo[3,2-c]quinoline-4-one derivative, which chemical structure is shown as the following. TAK-441 showed activity to suppress transcription factor Gli1 mRNA expression in tumor-associated stromal tissue and inhibited tumor growth (treatment/control ratio, 3%) in a mouse medulloblastoma allograft model owing to the improved PK profile based on increased solubility. TAK-441 is currently in clinical trials for the treatment of advanced solid tumors.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
BOC Sciences Bioactive Compounds
ChEMBL Drugs
DrugMAP
Guide to Pharmacology
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
14
Molecular Weight
576.22
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
2
Rotatable Bonds
9
Ring Count
4
Aromatic Ring Count
3
cLogP
2.44
TPSA
122.87
Fraction CSP3
0.43
Chiral centers
0.0
Largest ring
6.0
QED
0.38
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
