Molecule Details
InChIKeyYEUSLPIIQGZHQB-UHFFFAOYSA-N
Canonical SMILESN=C(N)SCCc1cccc(CCSC(=N)N)c1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL6.96
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB03910
Drug NameS,S'-(1,3-Phenylene-Bis(1,2-Ethanediyl))Bis-Isothiourea
CAS Numbernan
Groups experimental
ATC Codes nan
Descriptionnan

Cross-references: BindingDB: 50240717 CHEMBL107201 ChemSpider: 1291 PDB: 3BT PubChem:1331 PubChem:46506476 ZINC: ZINC000003806239
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P35228 NOS2 Homo sapiens Human PF00667 PF00258 PF00175 PF02898 7.3 Ki ChEMBL
P29475 NOS1 Homo sapiens Human PF00667 PF00258 PF00175 PF02898 PF00595 6.6 Ki ChEMBL;BindingDB
DrugBank Target Actions (2)
Target Gene Target Name Action Type
P29474 NOS3 Nitric oxide synthase 3 binder targets
P35228 NOS2 Nitric oxide synthase, inducible inhibitor targets