General
Preferred name
SQ-109
Synonyms
SQ109 ()
NSC 722041 ()
NSC-722041 ()
P&D ID
PD008641
CAS
502487-67-4
Tags
drug candidate
natural product
available
Drug indication
Bacterial infection
Tuberculosis
Drug Status
investigational
Max Phase
Phase 2
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 SQ-109 is a [1,2]-diamine-based ethambutol analogue included in the Medicines for Malaria Pandemic Response Box (MMV PRB). Functionally, it inhibits Mycobacterial membrane protein large 3 (MmpL3) and has advanced to clinical evaluation for the treatment of tuberculosis .

The compound also has antimalarial activity. The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY. (GtoPdb)
DESCRIPTION SQ109 is a novel antitubercular drug. It was screened out from a big chemical library designed around the active pharmacophore of ethambutol (EMB). SQ109 displayed potent activity against all the substrains of Mtb including XDR- and MDR-TB clinical strains. (BOC Sciences Bioactive Compounds)
Cell lines
1
Organisms
7
Compound Sets
9
BOC Sciences Bioactive Compounds
sq109-cas-502487-67-4-item-84-459258
ChEMBL Drugs
CHEMBL561057
DrugBank
DB05186
DrugMAP
DMWK9BX
Guide to Pharmacology
7997
MedChem Express Bioactive Compound Library
HY-14989
Pandemic Response Box
ReFrame library
Selleckchem Bioactive Compound Library
sq109
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
330.3
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
9
Ring Count
4
Aromatic Ring Count
0
cLogP
4.68
TPSA
24.06
Fraction CSP3
0.82
Chiral centers
0.0
Largest ring
6.0
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Target
antibiotic
Bacterial
Parasite
Source data