General
Preferred name
RapaLink-1
Synonyms
P&D ID
PD049395
Tags
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 RapaLink-1 is a new-generation bivalent (bitopic) mTOR inhibitor, comprising a rapamycin-FRB-binding element (, a.k.a. rapamycin) linked to an ATP binding site competitive TORKi (, a.k.a. MLN0128) via a PEG linker . RapaLink-1 is able to overcome resistance to TORKis of mutant mTOR proteins in vitro, inhibiting proliferation MCF-7 cells at levels comparable to rapamycin or a combination of rapamycin and MLN0128. (GtoPdb)
Compound Sets
1
Guide to Pharmacology
9212
External IDs
4
Properties
(calculated by RDKit )
Molecular Weight
1782.99
Hydrogen Bond Acceptors
34
Hydrogen Bond Donors
5
Rotatable Bonds
45
Ring Count
9
Aromatic Ring Count
5
cLogP
8.25
TPSA
448.98
Fraction CSP3
0.69
Chiral centers
15.0
Largest ring
29.0
QED
0.01
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data