Molecule Details
InChIKeyUDVIAMRWOLIUAE-UHFFFAOYSA-H
Compound Name8-[[4-Fluoro-3-[[3-[[3-[[2-fluoro-5-[(4,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate
Canonical SMILESO=C(Nc1cccc(C(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)[O-])c4cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c34)ccc2F)c1)Nc1cccc(C(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)[O-])c4cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c34)ccc2F)c1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.66
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P51575 P2RX1 Homo sapiens Human PF00864 7.2 IC50 ChEMBL;BindingDB
P56373 P2RX3 Homo sapiens Human PF00864 6.5 IC50 ChEMBL;BindingDB
Q96G91 P2RY11 Homo sapiens Human PF00001 6.3 IC50 ChEMBL;BindingDB