General
Preferred name
WR99210
Synonyms
WR99210 hydrochloride(47326-86-3 free base) ()
6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE ()
BRL-6231 ()
WR99210 (hydrochloride) ()
BRL 6231 ()
BRL 6231 (free base) ()
P&D ID
PD004168
CAS
47326-86-3
30711-93-4
Tags
available
drug candidate
Drug Status
experimental
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)
PRICE
188
DESCRIPTION
WR99210 (BRL 6231 free base) is an orally available dihydrofolate reductase (DHFR) inhibitor with antiparasitic activity, often used in combination with dapsone to study Mycobacterium avium complex (MAC).
PRICE
227
DESCRIPTION
WR99210 hydrochloride is a potent inhibitor of Plasmodium falciparum dihydrofolate reductase (pfDHFR), which is a major malarial drug target. It has subnanomolar potency for the wild type, double mutant and quadruple mutant dihydrofolate reductases.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
5
Compound Sets
5
Drug Repurposing Hub
DrugBank
MedChem Express Bioactive Compound Library
ReFrame library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
24
Molecular Weight
393.05
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
2
Aromatic Ring Count
1
cLogP
3.03
TPSA
98.46
Fraction CSP3
0.43
Chiral centers
0.0
Largest ring
6.0
QED
0.57
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Dihydrofolate reductase (DHFR)
Parasite
pfDHFR
TYMS
Indication
malaria
MOA
dihydrofolate reductase inhibitor
Pathway
Anti-infection
Metabolic Enzyme/Protease
Source data
