Iodophenpropit
SMILES | C1=CC(=CC=C1CCNC(N)SCCCC2=CN=CN2)I |
InChIKey | UWFACTDPNOOPFV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 9 |
Molecular weight (Da) | 416.1 |
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 |
H3 | HRH3 | Human | Histamine | A | pKi | 8.15 | 8.18 | 8.2 | PDSP Ki database |
H3 | HRH3 | Rat | Histamine | A | pKi | 8.83 | 8.92 | 9.01 | PDSP Ki database |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.43 | 5.43 | 5.43 | PDSP Ki database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 5.72 | 5.72 | 5.72 | PDSP Ki database |
H2 | HRH2 | Guinea pig | Histamine | A | pKi | 5.64 | 5.64 | 5.64 | PDSP Ki database |
δ | OPRD | Rat | Opioid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D3 | DRD3 | Rat | Dopamine | A | pKi | 5.74 | 5.74 | 5.74 | PDSP Ki database |
5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 6.28 | 6.28 | 6.28 | PDSP Ki database |
μ | OPRM | Rat | Opioid | A | pKi | 5.08 | 5.08 | 5.08 | PDSP Ki database |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.7 | 5.7 | 5.7 | PDSP Ki database |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.64 | 5.64 | 5.64 | PDSP Ki database |
κ | OPRK | Rat | Opioid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
H1 | HRH1 | Guinea pig | Histamine | A | pKi | 5.77 | 5.77 | 5.77 | PDSP Ki database |
D1 | DRD1 | Rat | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
β2 | ADRB2 | Rat | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
5-HT1D | 5HT1D | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D2 | DRD2 | Rat | Dopamine | A | pKi | 5.0 | 5.17 | 5.35 | PDSP Ki database |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.82 | 5.82 | 5.82 | PDSP Ki database |
H4 | HRH4 | Human | Histamine | A | pKi | 7.7 | 7.8 | 7.9 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |