6,6-Dimethyl-1-(3-(2,4,5-trichlorophenoxy)propoxy)-1,6-dihydro-1,3,5-triazine-2,4-diamine — MultiTargetDB

Molecule Details

InChIKey	`MJZJYWCQPMNPRM-UHFFFAOYSA-N`
Compound Name	6,6-Dimethyl-1-(3-(2,4,5-trichlorophenoxy)propoxy)-1,6-dihydro-1,3,5-triazine-2,4-diamine
Canonical SMILES	`CC1(C)N=C(N)N=C(N)N1OCCCOc1cc(Cl)c(Cl)cc1Cl`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	2
Pfam Stratification	Homologous
Avg pChEMBL	8.61
Source	ChEMBL;BindingDB

2D Structure

2D structure

Activity Profile

DrugBank Annotations

DrugBank ID	DB08734
Drug Name	6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE
CAS Number	nan
Groups	experimental
ATC Codes	nan
Description	nan

Cross-references: BindingDB: 18793 CHEMBL129788 ChemSpider: 108629 PDB: WRA PubChem:121750 PubChem:99445205 ZINC: ZINC000003581056

Target Activities (2)

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P00374	DHFR	Homo sapiens	Human	PF00186	8.1	Ki	ChEMBL;BindingDB
P13922		Plasmodium falciparum (isolate K1 / Thailand)	Pathogen	PF00186 PF00303	9.1	IC50	ChEMBL;BindingDB

DrugBank Target Actions (1)

Target	Gene	Target Name	Action	Type
P04818	TYMS	Thymidylate synthase	binder	targets