SULOCTIDIL


SMILES CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1
InChIKey BFCDFTHTSVTWOG-YLJYHZDGSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 12
Molecular weight (Da) 337.2

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
NK2 NK2R Human Tachykinin A pKi 5.64 5.64 5.64 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.49 5.49 5.49 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.3 6.3 6.3 ChEMBL
H2 HRH2 Human Histamine A pKi 7.05 7.05 7.05 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 5.43 5.43 5.43 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.2 6.2 6.2 ChEMBL
H1 HRH1 Human Histamine A pKi 5.61 5.61 5.61 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.01 6.01 6.01 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.51 6.51 6.51 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.12 6.12 6.12 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.22 6.22 6.22 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.96 5.96 5.96 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.15 6.15 6.15 ChEMBL
A3 AA3R Human Adenosine A pKi 5.68 5.68 5.68 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.22 8.22 8.22 Drug Central
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.22 8.22 8.22 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.21 8.21 8.21 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.26 8.26 8.26 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.21 8.21 8.21 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
β3 ADRB3 Human Adrenoceptors A pKi 8.27 8.27 8.27 Drug Central
D3 DRD3 Human Dopamine A pKi 8.21 8.21 8.21 Drug Central
H1 HRH1 Human Histamine A pKi 8.25 8.25 8.25 Drug Central
H2 HRH2 Human Histamine A pKi 8.15 8.15 8.15 Drug Central
NK2 NK2R Human Tachykinin A pKi 8.25 8.25 8.25 Drug Central
A3 AA3R Human Adenosine A pKi 8.25 8.25 8.25 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.21 8.21 8.21 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Human Tachykinin A pIC50 5.17 5.17 5.17 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 5.35 5.35 5.35 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 5.46 5.46 5.46 ChEMBL
H2 HRH2 Human Histamine A pIC50 6.97 6.97 6.97 ChEMBL
β3 ADRB3 Human Adrenoceptors A pIC50 5.3 5.3 5.3 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 5.34 5.34 5.34 ChEMBL
H1 HRH1 Human Histamine A pIC50 5.29 5.29 5.29 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 5.33 5.33 5.33 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 6.26 6.26 6.26 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.69 5.69 5.69 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 6.03 6.03 6.03 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 5.35 5.35 5.35 ChEMBL
D3 DRD3 Human Dopamine A pIC50 5.68 5.68 5.68 ChEMBL
A3 AA3R Human Adenosine A pIC50 5.43 5.43 5.43 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 8.2 8.2 8.2 Drug Central