immepip
SMILES | N1CCC(CC1)Cc1[nH]cnc1 |
InChIKey | MCNGUYXRBCIGOV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 2 |
Rotatable bonds | 2 |
Molecular weight (Da) | 165.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Ligand site mutations | H4 |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H3 | HRH3 | Human | Histamine | A | pKi | 8.8 | 9.25 | 9.7 | Guide to Pharmacology |
H4 | HRH4 | Human | Histamine | A | pKi | 7.6 | 7.8 | 8.0 | Guide to Pharmacology |
H3 | HRH3 | Rat | Histamine | A | pKi | 8.8 | 8.85 | 8.9 | Guide to Pharmacology |
H3 | HRH3 | Mouse | Histamine | A | pKi | 9.8 | 9.8 | 9.8 | Guide to Pharmacology |
H3 | HRH3 | Guinea pig | Histamine | A | pKi | 9.4 | 9.4 | 9.4 | ChEMBL |
H4 | HRH4 | Human | Histamine | A | pKi | 7.66 | 7.68 | 7.7 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 9.3 | 9.37 | 9.52 | ChEMBL |
H3 | HRH3 | Rat | Histamine | A | pKi | 8.85 | 9.07 | 9.3 | PDSP Ki database |
H3 | HRH3 | Human | Histamine | A | pKi | 5.0 | 8.12 | 9.4 | PDSP Ki database |
H4 | HRH4 | Human | Histamine | A | pKi | 7.7 | 7.81 | 8.05 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H4 | HRH4 | Human | Histamine | A | pEC50 | 7.25 | 7.53 | 7.8 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pEC50 | 9.17 | 9.73 | 10.4 | ChEMBL |