WAY 100,635


SMILES COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.Cl.Cl.Cl
InChIKey QDUDBLVWOSYWID-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 530.2

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
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.66 9.36 10.0 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 6.03 6.75 7.11 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 6.43 6.8 7.17 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 5.96 5.96 5.96 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 9.62 9.62 9.62 PDSP Ki database
H1 HRH1 Rat Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 6.0 6.0 6.0 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.0 5.04 5.08 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.0 5.3 5.61 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.2 5.46 5.72 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.55 6.55 6.55 PDSP Ki database
α1D ADA1D Human Adrenoceptors A pKi 7.7 7.92 8.34 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 6.46 6.46 6.46 PDSP Ki database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.62 7.62 7.62 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
α1B ADA1B Human Adrenoceptors A pKi 6.18 6.33 6.49 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
α2B ADA2B Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 5.59 5.59 5.59 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
H1 HRH1 Human Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
H2 HRH2 Human Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
H4 HRH4 Human Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
κ OPRK Human Opioid A pKi 6.39 6.39 6.39 PDSP Ki database
μ OPRM Human Opioid A pKi 5.0 5.0 5.0 PDSP Ki database
D3 DRD3 Rat Dopamine A pKi 6.43 6.43 6.43 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
H3 HRH3 Guinea pig Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
β1 ADRB1 Rat Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 7.79 7.79 7.79 PDSP Ki database
δ OPRD Human Opioid A pKi 5.0 5.0 5.0 PDSP Ki database
β2 ADRB2 Rat Adrenoceptors A pKi 5.0 5.5 6.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database