METHAPYRILENE


SMILES CN(C)CCN(Cc1cccs1)c1ccccn1
InChIKey HNJJXZKZRAWDPF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 261.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2B ADA2B Human Adrenoceptors A pKi 5.82 5.82 5.82 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.63 5.63 5.63 ChEMBL
H1 HRH1 Human Histamine A pKi 8.74 8.74 8.74 ChEMBL
H1 HRH1 Rat Histamine A pKi 8.35 8.35 8.35 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 6.36 6.36 6.36 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.84 5.84 5.84 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.27 6.27 6.27 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.23 6.23 6.23 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.41 6.41 6.41 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.94 5.94 5.94 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.75 6.75 6.75 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.17 8.17 8.17 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.23 8.23 8.23 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.23 8.23 8.23 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.21 8.21 8.21 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.25 8.25 8.25 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.24 8.24 8.24 Drug Central
H1 HRH1 Human Histamine A pKi 8.06 8.06 8.06 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.85 4.92 5.0 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 5.48 5.48 5.48 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 5.49 5.49 5.49 ChEMBL
H1 HRH1 Human Histamine A pIC50 7.8 7.8 7.8 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.93 5.93 5.93 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 5.51 5.51 5.51 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 6.07 6.07 6.07 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 5.78 5.78 5.78 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 6.13 6.13 6.13 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 5.32 5.32 5.32 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 6.2 6.2 6.2 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 4.6 4.6 4.6 ChEMBL