impromidine
SMILES | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C |
InChIKey | MURRAGMMNAYLNA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 4 |
Rotatable bonds | 9 |
Molecular weight (Da) | 321.2 |
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 |
H1 | HRH1 | Human | Histamine | A | pKi | 5.2 | 5.2 | 5.2 | Guide to Pharmacology |
H2 | HRH2 | Human | Histamine | A | pKi | 7.2 | 7.2 | 7.2 | Guide to Pharmacology |
H3 | HRH3 | Human | Histamine | A | pKi | 7.2 | 7.2 | 7.2 | Guide to Pharmacology |
H4 | HRH4 | Human | Histamine | A | pKi | 7.6 | 7.75 | 7.9 | Guide to Pharmacology |
H1 | HRH1 | Guinea pig | Histamine | A | pKd | 5.47 | 5.47 | 5.47 | ChEMBL |
H4 | HRH4 | Human | Histamine | A | pKi | 7.6 | 7.75 | 7.91 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 6.3 | 6.3 | 6.3 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 7.17 | 7.17 | 7.17 | ChEMBL |
H3 | HRH3 | Rat | Histamine | A | pKi | 7.12 | 7.43 | 7.9 | PDSP Ki database |
H3 | HRH3 | Human | Histamine | A | pKi | 6.8 | 7.05 | 7.17 | PDSP Ki database |
H4 | HRH4 | Human | Histamine | A | pKi | 7.6 | 7.81 | 7.91 | PDSP Ki database |
H2 | HRH2 | Guinea pig | Histamine | A | pKi | 7.2 | 7.2 | 7.2 | PDSP Ki database |
H2 | HRH2 | Human | Histamine | A | pKi | 6.3 | 6.95 | 7.6 | PDSP Ki database |
H3 | HRH3 | Rat | Histamine | A | pKi | 7.2 | 7.3 | 7.4 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H4 | HRH4 | Human | Histamine | A | pEC50 | 7.6 | 7.6 | 7.6 | ChEMBL |