5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine — MultiTargetDB

Molecule Details

InChIKey	`JPENSYBRTSIYGO-AWEZNQCLSA-N`
Compound Name	5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
Canonical SMILES	`COc1cc(-c2ccccc2)cc([C@@H](C)C#Cc2c(C)nc(N)nc2N)c1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	3
Pfam Stratification	Homologous
Avg pChEMBL	7.88
Source	ChEMBL;BindingDB

2D Structure

2D structure

Activity Profile

DrugBank Annotations

DrugBank ID	DB07140
Drug Name	5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
CAS Number	nan
Groups	experimental
ATC Codes	nan
Description	nan

Cross-references: BindingDB: 25826 CHEMBL459177 ChemSpider: 24691032 PDB: 53R PubChem:25093369 PubChem:99443611 ZINC: ZINC000040392373

Target Activities (3)

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
Q27552	DHFR-TS	Cryptosporidium parvum	Pathogen	PF00186 PF00303	9.0	IC50	ChEMBL;BindingDB
P22906	DFR1	Candida albicans	Pathogen	PF00186	7.5	IC50	ChEMBL;BindingDB
P0A017	folA	Staphylococcus aureus	Pathogen	PF00186	7.2	IC50	ChEMBL;BindingDB

DrugBank Target Actions (2)

Target	Gene	Target Name	Action	Type
A0A0M3KKX1	A0A0M3KKX1	Dihydrofolate reductase	binder	targets
P00374	DHFR	Dihydrofolate reductase	binder	targets