SERTRALINE


SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIKey VGKDLMBJGBXTGI-SJCJKPOMSA-N

Chemical properties

Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 305.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Rat Adrenoceptors A pKi 6.47 6.47 6.47 ChEMBL
MC5 MC5R Human Melanocortin A pKi 5.37 5.37 5.37 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 7.08 7.08 7.08 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.19 6.19 6.19 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.44 6.44 6.44 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.43 6.43 6.43 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.96 6.96 6.96 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.67 5.67 5.67 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.01 6.01 6.01 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.25 6.25 6.25 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.51 6.51 6.51 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.11 6.11 6.11 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.23 8.23 8.23 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.23 8.23 8.23 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.24 8.24 8.24 Drug Central
α1A ADA1A Human Adrenoceptors A pKi 8.16 8.16 8.16 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.16 8.16 8.16 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.21 8.21 8.21 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 8.2 8.2 8.2 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.21 8.21 8.21 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.25 8.25 8.25 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.15 8.15 8.15 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.21 8.21 8.21 Drug Central
MC5 MC5R Human Melanocortin A pKi 8.27 8.27 8.27 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 8.19 8.19 8.19 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Rat Adrenoceptors A pIC50 6.22 6.22 6.22 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.9 5.03 5.15 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 5.34 5.34 5.34 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 6.74 6.74 6.74 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 5.35 5.35 5.35 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 6.29 6.29 6.29 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 5.58 5.58 5.58 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 6.54 6.54 6.54 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 5.47 5.47 5.47 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 5.56 5.56 5.56 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 5.96 5.96 5.96 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 5.89 5.89 5.89 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 5.56 5.56 5.56 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.4 4.4 4.4 ChEMBL