THIQ
SMILES | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl |
InChIKey | HLCHESOMJVGDSJ-LOYHVIPDSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 588.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Structure pdb | 7F58 |
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 |
TAS2R10 | T2R10 | Human | Taste 2 | T | pEC50 | 4.13 | 4.13 | 4.13 | Guide to Pharmacology |
TAS2R30 | T2R30 | Human | Taste 2 | T | pEC50 | 6.57 | 6.57 | 6.57 | Guide to Pharmacology |
TAS2R46 | T2R46 | Human | Taste 2 | T | pEC50 | 3.62 | 3.62 | 3.62 | Guide to Pharmacology |
TAS2R10 | T2R10 | Human | Taste 2 | T | pEC50 | 4.16 | 4.16 | 4.16 | ChEMBL |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 5.2 | 5.2 | 5.2 | ChEMBL |