iodoproxyfan
SMILES | Ic1ccc(cc1)COCCCc1cnc[nH]1 |
InChIKey | DCQNAFOCXVCDLB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 342.0 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H3 | HRH3 | Rat | Histamine | A | pKi | 7.15 | 8.45 | 9.52 | ChEMBL |
H4 | HRH4 | Human | Histamine | A | pKi | 7.9 | 7.9 | 7.9 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 9.2 | 9.2 | 9.2 | PDSP Ki database |
H3 | HRH3 | Human | Histamine | A | pKi | 7.39 | 8.6 | 9.2 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 10.0 | 10.0 | 10.0 | Guide to Pharmacology |
H4 | HRH4 | Human | Histamine | A | pKi | 7.9 | 7.9 | 7.9 | PDSP Ki database |
H3 | HRH3 | Rat | Histamine | A | pKi | 8.3 | 9.02 | 9.7 | PDSP Ki database |
H3 | HRH3 | Rat | Histamine | A | pKi | 9.6 | 9.6 | 9.6 | Guide to Pharmacology |
H3 | HRH3 | Guinea pig | Histamine | A | pKd | 8.3 | 8.3 | 8.3 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H4 | HRH4 | Human | Histamine | A | pEC50 | 7.9 | 7.9 | 7.9 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pEC50 | 10.3 | 10.3 | 10.3 | ChEMBL |