Molecule Details
InChIKeyKNBRWWCHBRQLNY-UHFFFAOYSA-N
Compound NameDipentamethylenethiuram disulfide
Canonical SMILESS=C(SSC(=S)N1CCCCC1)N1CCCCC1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.7
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB14174
Drug NameDipentamethylenethiuram disulfide
CAS Number94-37-1
Groups approved
ATC Codes nan
Descriptionnan
Categories: Cell-mediated Immunity Increased Histamine Release Standardized Chemical Allergen
Cross-references: BindingDB: 50414948 CHEMBL121516 ChemSpider: 6920 RxCUI: 1426773 ZINC: ZINC000001606736
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P00352 ALDH1A1 Homo sapiens Human PF00171 7.3 IC50 ChEMBL;BindingDB
Q99685 MGLL Homo sapiens Human PF12146 6.5 IC50 ChEMBL;BindingDB
O43175 PHGDH Homo sapiens Human PF00389 PF02826 PF19304 6.3 IC50 ChEMBL
DrugBank Target Actions (1)
Target Gene Target Name Action Type
P51648 P51648 Aldehyde dehydrogenase family 3 member A2 inhibitor targets