ORPHENADRINE


SMILES Cc1ccccc1C(OCCN(C)C)c1ccccc1
InChIKey QVYRGXJJSLMXQH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 269.2

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
α2B ADA2B Human Adrenoceptors A pKi 6.06 6.06 6.06 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 7.7 7.7 7.7 ChEMBL
H2 HRH2 Human Histamine A pKi 5.17 5.17 5.17 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 7.77 7.77 7.77 ChEMBL
H1 HRH1 Human Histamine A pKi 6.84 6.84 6.84 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 7.43 7.43 7.43 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.09 6.09 6.09 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.28 6.28 6.28 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.67 5.67 5.67 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.87 6.87 6.87 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.55 6.55 6.55 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 7.44 7.44 7.44 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.9 6.9 6.9 ChEMBL
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 6.85 6.85 6.85 PDSP Ki database
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.77 6.93 7.09 PDSP Ki database
M4 ACM4 Chicken Acetylcholine (muscarinic) A pKi 6.67 6.67 6.67 PDSP Ki database
M3 ACM3 Rat Acetylcholine (muscarinic) A pKi 7.01 7.01 7.01 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 7.32 7.32 7.32 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.67 6.67 6.67 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.92 6.92 6.92 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.16 8.16 8.16 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.25 8.25 8.25 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.18 8.18 8.18 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.13 8.13 8.13 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.16 8.16 8.16 Drug Central
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.13 8.13 8.13 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.11 8.11 8.11 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.11 8.11 8.11 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.22 8.22 8.22 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.22 8.22 8.22 Drug Central
H1 HRH1 Human Histamine A pKi 8.1 8.1 8.1 Drug Central
H2 HRH2 Human Histamine A pKi 8.29 8.29 8.29 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.89 6.89 6.89 PDSP Ki database
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 7.39 7.39 7.39 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Rat Histamine A pIC50 6.79 6.79 6.79 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 5.72 5.72 5.72 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 7.55 7.55 7.55 ChEMBL
H2 HRH2 Human Histamine A pIC50 5.16 5.16 5.16 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 6.9 6.9 6.9 ChEMBL
H1 HRH1 Human Histamine A pIC50 4.01 4.96 5.91 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 6.76 6.76 6.76 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.67 5.67 5.67 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 5.95 5.95 5.95 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 5.47 5.47 5.47 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 6.42 6.42 6.42 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 6.27 6.27 6.27 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 6.83 6.83 6.83 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 6.36 6.36 6.36 ChEMBL
H1 HRH1 Rat Histamine A pIC50 8.17 8.17 8.17 Drug Central
NPS NPSR1 Human Neuropeptide S A Potency 7.7 7.7 7.7 ChEMBL