CHEMBL382469
SMILES | NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(n2c(O)nc3ccccc32)CC1)C(=O)N1CCN(c2ccncc2)CC1 |
InChIKey | YYSNPBLETNIGCW-JSOSNVBQSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 5 |
Rotatable bonds | 12 |
Molecular weight (Da) | 853.2 |
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 |
calcitonin-like | CALRL | Human | Calcitonin | B1 | pKd | 10.1 | 10.1 | 10.1 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
calcitonin-like | CALRL | Human | Calcitonin | B1 | pIC50 | 8.57 | 9.13 | 9.7 | ChEMBL |
calcitonin-like | CALRL | Rat | Calcitonin | B1 | pIC50 | 7.25 | 7.25 | 7.25 | ChEMBL |