MRS2578
SMILES | S=C=Nc1cccc(c1)NC(=S)NCCCCNC(=S)Nc1cccc(c1)N=C=S |
InChIKey | QOHNRGHTJPFMSL-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 9 |
Molecular weight (Da) | 472.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
PAR2 | PAR2 | Human | Proteinase-activated | A | pIC50 | 5.7 | 5.7 | 5.7 | Guide to Pharmacology |
PAR2 | PAR2 | Human | Proteinase-activated | A | pIC50 | 5.0 | 5.65 | 6.0 | ChEMBL |