Glaxo-11p
SMILES | O=C(NC1C(=O)N(c2ccccc2)c2c(N(C1=O)CC(=O)N(c1ccc(cc1)N(C)C)C(C)C)cccc2)Nc1ccccc1 |
InChIKey | GESRVUYUMYPJBC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 604.3 |
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 |
CCR5 | CCR5 | Human | Chemokine | A | pIC50 | 8.6 | 8.6 | 8.6 | Guide to Pharmacology |
CCR7 | CCR7 | Human | Chemokine | A | pIC50 | 8.51 | 8.51 | 8.51 | ChEMBL |
CCR5 | CCR5 | Mouse | Chemokine | A | pIC50 | 9.6 | 9.6 | 9.6 | ChEMBL |
CCR2 | CCR2 | Human | Chemokine | A | pIC50 | 8.23 | 8.23 | 8.23 | ChEMBL |
CCR5 | CCR5 | Human | Chemokine | A | pIC50 | 8.51 | 9.18 | 10.0 | ChEMBL |
CCR3 | CCR3 | Human | Chemokine | A | pIC50 | 5.62 | 5.62 | 5.62 | ChEMBL |
CCR4 | CCR4 | Human | Chemokine | A | pIC50 | 5.96 | 5.96 | 5.96 | ChEMBL |