General
Preferred name
TG-0205221
Synonyms
P&D ID
PD133890
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 TG-0205221 is an inhibitor of coronavirus main proteases, having originally been identified as a SARS-CoV Mpro inhibitor . TG-0205221 has been crystallised in complex with SARS-CoV and SARS-CoV-2 Mpro (RCSB Protein Data Bank accession 7C8T). (GtoPdb)
Compound Sets
1
Guide to Pharmacology
11176
External IDs
6
Properties
(calculated by RDKit )
Molecular Weight
602.37
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
5
Rotatable Bonds
14
Ring Count
3
Aromatic Ring Count
1
cLogP
2.94
TPSA
155.09
Fraction CSP3
0.69
Chiral centers
5.0
Largest ring
6.0
QED
0.22
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data