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
Physiological/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
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
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
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
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
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.43 5.43 5.43 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database