TG6-129
SMILES | CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccc(cc1)F |
InChIKey | SYSMVOANBVDZNG-LFYBBSHMSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 3 |
Rotatable bonds | 7 |
Molecular weight (Da) | 491.1 |
Drug properties
Molecular type | Small molecule |
Physiological/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 |
DP1 | PD2R | Human | Prostanoid | A | pKB | 4.84 | 4.84 | 4.84 | Guide to Pharmacology |
EP2 | PE2R2 | Human | Prostanoid | A | pKB | 8.06 | 8.06 | 8.06 | Guide to Pharmacology |
EP4 | PE2R4 | Human | Prostanoid | A | pKB | 5.41 | 5.41 | 5.41 | Guide to Pharmacology |
IP | PI2R | Human | Prostanoid | A | pKB | 6.7 | 6.7 | 6.7 | Guide to Pharmacology |
EP2 | PE2R2 | Human | Prostanoid | A | pIC50 | 5.8 | 5.8 | 5.8 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.0 | 5.0 | 5.0 | ChEMBL |