Molecule Details
InChIKeyJJVQUUYZGJWBPW-UHFFFAOYSA-N
Canonical SMILESCCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccc(CC(=O)OC)cc3)cc2)C2CCN(Cc3ncc[nH]3)CC2)cc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL6.82
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB02505
Drug NameN-(R-Carboxy-Ethyl)-Alpha-(S)-(2-Phenylethyl)
CAS Numbernan
Groups experimental
ATC Codes nan
Descriptionnan
Cross-references: BindingDB: 50514502 CHEMBL1233569 ChemSpider: 571336 PDB: IH4 PubChem:657149 PubChem:46507876 ZINC: ZINC000014880389
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P46925 PMII Plasmodium falciparum (isolate HB3) Pathogen PF00026 7.5 IC50 ChEMBL;BindingDB
P39898 PMI Plasmodium falciparum (isolate HB3) Pathogen PF00026 6.2 IC50 ChEMBL;BindingDB
DrugBank Target Actions (1)
Target Gene Target Name Action Type
P46925 PMII Plasmepsin II inhibitor targets