Methiothepin


SMILES CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C
InChIKey RLJFTICUTYVZDG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 2
Molecular weight (Da) 356.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations 5-HT1B

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.8 7.95 8.1 Guide to Pharmacology
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 7.1 7.8 8.5 Guide to Pharmacology
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 7.3 7.75 8.2 Guide to Pharmacology
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 6.7 6.85 7.0 Guide to Pharmacology
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pKi 6.2 6.2 6.2 Guide to Pharmacology
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.5 8.5 8.5 Guide to Pharmacology
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.7 8.95 9.2 Guide to Pharmacology
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.4 8.4 8.4 Guide to Pharmacology
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 8.5 8.7 8.9 Guide to Pharmacology
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.4 8.9 9.4 Guide to Pharmacology
5-HT5A 5HT5A Rat 5-Hydroxytryptamine A pKi 7.5 7.5 7.5 Guide to Pharmacology
5-HT7 5HT7R Mouse 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 Guide to Pharmacology
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 9.0 9.2 9.4 Guide to Pharmacology
5-HT5A 5HT5A Mouse 5-Hydroxytryptamine A pKi 7.0 7.0 7.0 Guide to Pharmacology
5-HT6 A0A0G2JYX7 Rat 5-Hydroxytryptamine A pKi 7.5 8.45 9.4 Guide to Pharmacology
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 8.4 8.4 8.4 ChEMBL
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 7.0 8.33 9.0 ChEMBL
D1 DRD1 Rat Dopamine A pKi 8.7 8.7 8.7 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.4 8.8 9.26 ChEMBL
D2 DRD2 Rat Dopamine A pKi 9.4 9.4 9.4 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.39 8.87 9.4 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.32 8.43 8.66 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.94 7.13 8.06 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.35 8.9 9.47 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 8.61 8.68 8.76 PDSP Ki database
5-HT2C A0A4X1W4R8 Pig 5-Hydroxytryptamine A pKi 7.56 7.74 8.5 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.77 7.85 8.24 PDSP Ki database
5-HT1D A0A4W2F4L6 Hybrid cattle 5-Hydroxytryptamine A pKi 6.25 6.76 7.44 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 7.0 7.4 7.98 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.5 9.12 10.0 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 8.76 8.98 9.6 PDSP Ki database
5-HT2A 5HT2A Pig 5-Hydroxytryptamine A pKi 8.8 8.8 8.8 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 7.4 8.41 9.72 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.85 9.26 9.41 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 8.99 9.16 9.42 PDSP Ki database
5-HT1D 5HT1D Rat 5-Hydroxytryptamine A pKi 9.22 9.23 9.24 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.68 8.91 9.24 PDSP Ki database
5-HT5A 5HT5A Rat 5-Hydroxytryptamine A pKi 6.84 7.19 7.54 PDSP Ki database
5-HT7 5HT7R Guinea pig 5-Hydroxytryptamine A pKi 7.34 7.92 8.43 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.43 8.45 8.5 PDSP Ki database
5-HT6 5HT6R Mouse 5-Hydroxytryptamine A pKi 8.2 8.72 9.25 PDSP Ki database
5-HT5A 5HT5A Mouse 5-Hydroxytryptamine A pKi 6.9 6.97 7.0 PDSP Ki database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 6.68 6.76 6.92 PDSP Ki database
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pKi 6.19 6.19 6.19 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.1 7.52 7.65 PDSP Ki database
5-HT1F 5HT1F Rat 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 PDSP Ki database
5-HT7 5HT7R Mouse 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 PDSP Ki database
α1A F6PTQ1 Pig Adrenoceptors A pKi 8.1 9.2 10.2 PDSP Ki database
α1B A0A4X1U0M4 Pig Adrenoceptors A pKi 9.3 9.3 9.3 PDSP Ki database
D1 DRD1 Bovine Dopamine A pKi 6.68 6.68 6.68 PDSP Ki database
D2 DRD2 Bovine Dopamine A pKi 8.85 8.85 8.85 PDSP Ki database
5-HT1A 5HT1A Dog 5-Hydroxytryptamine A pKi 6.09 6.09 6.09 PDSP Ki database
5-HT6 I3LCE8 Pig 5-Hydroxytryptamine A pKi 7.4 7.7 8.0 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 8.7 8.7 8.7 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 9.4 9.4 9.4 PDSP Ki database
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 9.0 9.0 9.0 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.2 8.8 9.4 Guide to Pharmacology
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 9.4 9.4 9.4 ChEMBL
5-HT1B 5HT1B Guinea pig 5-Hydroxytryptamine A pKi 7.96 7.96 7.96 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
US28 US28 strain AD169 Unclassified A pEC50 6.45 6.46 6.46 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pEC50 9.22 9.22 9.22 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pIC50 7.68 8.41 9.09 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 6.9 8.03 8.62 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pEC50 9.42 9.42 9.42 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 7.15 7.15 7.15 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 7.25 7.25 7.25 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 4.6 4.6 4.6 ChEMBL