MECOPROP


SMILES Cc1cc(Cl)ccc1OC(C)C(=O)O
InChIKey WNTGYJSOUMFZEP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 214.0

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations 5-HT2C

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 7.68 7.74 7.78 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.2 7.63 8.49 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.89 6.23 6.68 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 6.47 6.67 7.02 PDSP Ki database
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 5.81 5.82 5.85 PDSP Ki database
5-HT1A F6Q2H9 Bovine 5-Hydroxytryptamine A pKi 5.85 5.85 5.85 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.4 6.91 7.3 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.6 7.35 8.05 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 6.4 6.75 7.68 PDSP Ki database
5-HT2B F6QI78 Bovine 5-Hydroxytryptamine A pKi 6.02 6.02 6.02 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.3 6.72 7.05 PDSP Ki database
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 5.6 5.62 5.64 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 6.45 6.55 6.6 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 6.52 7.13 7.7 PDSP Ki database
5-HT2B 5HT2B Rat 5-Hydroxytryptamine A pKi 7.57 7.59 7.6 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.5 7.15 7.8 PDSP Ki database
H1 HRH1 Guinea pig Histamine A pKi 6.35 6.35 6.35 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.4 6.88 7.36 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 5.46 5.53 5.6 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1D 5HT1D Rat 5-Hydroxytryptamine A pKi 5.8 5.8 5.8 PDSP Ki database
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.87 5.87 5.87 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.76 5.76 5.76 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.79 6.79 6.79 PDSP Ki database
α1B ADA1B Human Adrenoceptors A pKi 6.04 6.04 6.04 PDSP Ki database
α1D ADA1D Human Adrenoceptors A pKi 5.86 5.86 5.86 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 6.84 6.84 6.84 PDSP Ki database
α2B ADA2B Human Adrenoceptors A pKi 6.98 6.98 6.98 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 6.91 6.91 6.91 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 5.63 5.63 5.63 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
H1 HRH1 Human Histamine A pKi 6.49 6.49 6.49 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 5.15 5.15 5.15 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pEC50 7.03 7.03 7.03 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pEC50 6.92 6.92 6.92 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pEC50 6.82 6.82 6.82 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 5.2 5.2 5.2 ChEMBL