JR14a
SMILES | O=C(c1sc(cc1C)C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)N[C@H](C(=O)O)CCCNC(=N)N |
InChIKey | OHRIKWUZKGNQKQ-IBGZPJMESA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 5 |
Rotatable bonds | 10 |
Molecular weight (Da) | 532.1 |
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 |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 7.23 | 7.23 | 7.23 | ChEMBL |
RXFP1 | RXFP1 | Human | Relaxin family peptide | A | Potency | 4.4 | 4.4 | 4.4 | ChEMBL |