MTEB
SMILES | N#Cc1cccc(c1)C#Cc1csc(n1)C |
InChIKey | GRUPMMBRLDBTDD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 0 |
Molecular weight (Da) | 224.0 |
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 |
LPA3 | LPAR3 | Human | Lysophospholipid (LPA) | A | pKi | 7.05 | 7.05 | 7.05 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
LPA2 | LPAR2 | Human | Lysophospholipid (LPA) | A | pEC50 | 6.2 | 6.2 | 6.2 | Guide to Pharmacology |