CHEMBL4165525
SMILES | CC[C@H](C)[C@@H](OC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC |
InChIKey | NKGPNURNPPOXTJ-GUBAZUDTSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 2 |
Rotatable bonds | 21 |
Molecular weight (Da) | 888.5 |
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 |
CCR10 | CCR10 | Human | Chemokine | A | pIC50 | 5.5 | 5.5 | 5.5 | ChEMBL |
ACKR3 | ACKR3 | Human | Chemokine | A | pEC50 | 5.11 | 5.11 | 5.11 | ChEMBL |
OT | OXYR | Human | Vasopressin and oxytocin | A | pIC50 | 5.27 | 5.27 | 5.27 | ChEMBL |
NK2 | NK2R | Human | Tachykinin | A | pIC50 | 5.49 | 5.49 | 5.49 | ChEMBL |