compound 1q [PMID: 18029181]
SMILES | Oc1ccc2c(c1)ncc(n2)N1CCN(CC1)C(=O)Nc1ccccc1C(=O)O |
InChIKey | YBFBENHWPRGUMU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 3 |
Molecular weight (Da) | 393.1 |
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 |
HCA2 | HCAR2 | Human | Hydroxycarboxylic acid | A | pIC50 | 6.85 | 6.85 | 6.85 | Guide to Pharmacology |
HCA2 | HCAR2 | Human | Hydroxycarboxylic acid | A | pEC50 | 6.33 | 6.33 | 6.33 | ChEMBL |
HCA2 | HCAR2 | Human | Hydroxycarboxylic acid | A | pIC50 | 6.85 | 6.85 | 6.85 | ChEMBL |