dimethyltryptamine


SMILES CN(CCc1c[nH]c2c1cccc2)C
InChIKey DMULVCHRPCFFGV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 188.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 9AS2 9AS1
Ligand site mutations 5-HT2A

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 7.0 7.15 7.3 Guide to Pharmacology
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 7.2 7.2 7.2 Guide to Pharmacology
5-HT2B 5HT2B Rat 5-Hydroxytryptamine A pKd 6.0 6.0 6.0 ChEMBL
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.77 5.77 5.77 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.74 5.78 5.82 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.43 6.5 6.58 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.8 5.81 5.82 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.38 5.47 5.57 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 7.16 7.23 7.3 ChEMBL
H1 HRH1 Human Histamine A pKi 6.6 6.7 6.8 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.32 6.44 6.55 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.82 5.89 5.96 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.25 6.28 6.3 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.46 6.83 7.35 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.55 6.91 7.48 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.39 6.78 7.0 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.73 7.14 7.4 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.12 6.13 6.14 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.59 6.59 6.59 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pIC50 5.48 5.48 5.48 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pIC50 5.62 5.66 5.7 ChEMBL
α1B ADA1B Human Adrenoceptors A pIC50 6.03 6.1 6.17 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 5.49 5.5 5.51 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 5.02 5.12 5.21 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pIC50 6.92 6.98 7.05 ChEMBL
H1 HRH1 Human Histamine A pIC50 6.28 6.38 6.47 ChEMBL
α1A ADA1A Human Adrenoceptors A pIC50 6.0 6.12 6.24 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.52 5.58 5.65 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 5.92 5.95 5.97 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 6.32 6.36 6.39 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 6.28 6.35 6.41 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 6.72 6.73 6.75 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pEC50 7.65 7.65 7.65 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 6.66 6.74 6.82 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 5.78 5.79 5.8 ChEMBL