lisuride


SMILES CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC
InChIKey BKRGVLQUQGGVSM-KBXCAEBGSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 338.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 6DRX 7UM6 7WC7
Ligand site mutations 5-HT1A 5-HT2A 5-HT2B 5-HT2C 5-HT5A 5-HT6 D2 D3

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 9.7 9.75 9.8 Guide to Pharmacology
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 7.7 7.7 7.7 Guide to Pharmacology
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 9.0 9.0 9.0 Guide to Pharmacology
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.6 8.6 8.6 Guide to Pharmacology
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.9 8.9 8.9 Guide to Pharmacology
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.9 8.1 8.3 Guide to Pharmacology
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.0 8.05 8.1 Guide to Pharmacology
α1A ADA1A Human Adrenoceptors A pKi 8.3 8.3 8.3 Guide to Pharmacology
α2A ADA2A Human Adrenoceptors A pKi 10.3 10.3 10.3 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pKi 8.5 9.2 9.9 Guide to Pharmacology
D1 DRD1 Human Dopamine A pKi 7.2 7.2 7.2 Guide to Pharmacology
D2 DRD2 Human Dopamine A pKi 9.2 9.35 9.5 Guide to Pharmacology
D3 DRD3 Human Dopamine A pKi 9.6 9.6 9.6 Guide to Pharmacology
D4 DRD4 Human Dopamine A pKi 8.3 8.3 8.3 Guide to Pharmacology
D5 DRD5 Human Dopamine A pKi 8.5 8.5 8.5 Guide to Pharmacology
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 8.2 8.75 9.3 Guide to Pharmacology
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 8.34 8.34 8.34 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 7.17 7.17 7.17 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 9.62 9.62 9.62 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 8.04 8.04 8.04 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.7 7.7 7.7 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 6.49 6.49 6.49 ChEMBL
H1 HRH1 Human Histamine A pKi 7.72 7.72 7.72 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.49 8.49 8.49 ChEMBL
D1 DRD1 Human Dopamine A pKi 7.07 7.09 7.11 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 9.57 9.57 9.57 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.26 8.26 8.26 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.54 7.54 7.54 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.0 8.0 8.0 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 9.4 9.4 9.4 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKd 8.7 8.7 8.7 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.06 9.06 9.06 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.77 9.62 10.23 ChEMBL
D2 DRD2 Human Dopamine A pKi 9.02 9.16 9.3 ChEMBL
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 7.7 7.71 7.71 PDSP Ki database
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 7.5 7.51 7.51 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 6.65 6.65 6.65 PDSP Ki database
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 7.52 8.07 8.28 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 8.2 8.84 9.28 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.16 7.74 9.13 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.54 8.81 8.97 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 7.8 8.01 8.28 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.0 7.4 8.23 PDSP Ki database
5-HT7 5HT7R Guinea pig 5-Hydroxytryptamine A pKi 7.73 8.13 8.53 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 8.85 9.31 9.74 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 8.77 9.24 9.55 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.16 9.08 9.83 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 7.19 7.19 7.19 PDSP Ki database
α1B ADA1B Human Adrenoceptors A pKi 7.78 7.78 7.78 PDSP Ki database
α1D ADA1D Human Adrenoceptors A pKi 8.26 8.39 8.53 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 10.26 10.26 10.26 PDSP Ki database
α2B ADA2B Human Adrenoceptors A pKi 9.87 9.87 9.87 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 8.34 8.34 8.34 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 8.45 8.45 8.45 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 7.73 7.77 7.8 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.0 7.0 9.01 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 7.17 7.17 7.17 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 8.1 8.1 8.1 PDSP Ki database
H1 HRH1 Guinea pig Histamine A pKi 7.46 7.46 7.46 PDSP Ki database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 7.35 7.35 7.35 PDSP Ki database
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 8.51 8.51 8.51 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.14 8.14 8.14 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.17 8.17 8.17 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.03 8.03 8.03 Drug Central
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.11 8.11 8.11 Drug Central
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.05 8.05 8.05 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.04 8.04 8.04 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.07 8.07 8.07 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.08 8.08 8.08 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.08 8.08 8.08 Drug Central
α1A ADA1A Human Adrenoceptors A pKi 8.08 8.08 8.08 Drug Central
α1B ADA1B Human Adrenoceptors A pKi 8.11 8.11 8.11 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.09 8.09 8.09 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.0 8.0 8.0 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.02 8.02 8.02 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.04 8.04 8.04 Drug Central
β1 ADRB1 Human Adrenoceptors A pKi 8.19 8.19 8.19 Drug Central
β2 ADRB2 Human Adrenoceptors A pKi 8.12 8.12 8.12 Drug Central
D1 DRD1 Human Dopamine A pKi 8.15 8.15 8.15 Drug Central
D3 DRD3 Human Dopamine A pKi 8.06 8.06 8.06 Drug Central
D4 DRD4 Human Dopamine A pKi 8.08 8.08 8.08 Drug Central
D5 DRD5 Human Dopamine A pKi 8.07 8.07 8.07 Drug Central
H1 HRH1 Human Histamine A pKi 8.11 8.11 8.11 Drug Central
H2 HRH2 Human Histamine A pKi 8.22 8.22 8.22 Drug Central
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 8.08 8.08 8.08 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 8.14 8.14 8.14 Drug Central
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 8.03 8.03 8.03 Drug Central
D2 DRD2 Rat Dopamine A pKd 8.02 8.02 8.02 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 9.94 9.94 9.94 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 9.2 9.2 9.2 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 9.3 9.6 9.9 Guide to Pharmacology
D2 DRD2 Human Dopamine A pKi 8.03 8.03 8.03 Drug Central
H2 HRH2 Human Histamine A pKi 5.99 5.99 5.99 ChEMBL
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 7.5 7.9 8.3 Guide to Pharmacology
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.57 9.09 10.1 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 8.08 8.08 8.08 Drug Central
D2 DRD2 Rat Dopamine A pKd 8.64 9.2 9.52 ChEMBL
5-HT1A A0A4X1UTF5 Pig 5-Hydroxytryptamine A pKi 9.12 9.12 9.12 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pIC50 8.0 8.0 8.0 ChEMBL
α1B ADA1B Rat Adrenoceptors A pIC50 6.92 6.92 6.92 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 9.29 9.29 9.29 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 7.64 7.64 7.64 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 7.39 7.39 7.39 ChEMBL
β1 ADRB1 Human Adrenoceptors A pIC50 6.25 6.25 6.25 ChEMBL
H1 HRH1 Human Histamine A pIC50 6.8 6.8 6.8 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 8.29 8.29 8.29 ChEMBL
D1 DRD1 Human Dopamine A pIC50 6.76 6.76 6.76 ChEMBL
D4 DRD4 Human Dopamine A pEC50 7.05 7.05 7.05 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 9.33 9.33 9.33 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 7.92 7.92 7.92 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 7.39 7.39 7.39 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pEC50 7.61 7.61 7.61 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 7.7 7.7 7.7 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 8.52 8.52 8.52 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pEC50 10.65 10.65 10.65 ChEMBL
D3 DRD3 Human Dopamine A pIC50 9.76 9.76 9.76 ChEMBL
D2 DRD2 Human Dopamine A pIC50 8.54 8.54 8.54 ChEMBL
D2 DRD2 Human Dopamine A pEC50 11.0 11.0 11.0 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 8.03 8.03 8.03 Drug Central
α1A ADA1A Rat Adrenoceptors A pIC50 8.12 8.12 8.12 Drug Central
α2A ADA2A Human Adrenoceptors A pIC50 9.51 9.51 9.51 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 8.37 8.37 8.37 ChEMBL
H2 HRH2 Human Histamine A pIC50 5.98 5.98 5.98 ChEMBL