isoprenaline
SMILES | CC(NCC(c1ccc(c(c1)O)O)O)C |
InChIKey | JWZZKOKVBUJMES-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 4 |
Rotatable bonds | 4 |
Molecular weight (Da) | 211.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | Yes |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 6.1 | 6.55 | 7.0 | Guide to Pharmacology |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 6.4 | 6.5 | 6.6 | Guide to Pharmacology |
β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 5.1 | 5.65 | 6.2 | Guide to Pharmacology |
β3 | ADRB3 | Mouse | Adrenoceptors | A | pKi | 4.2 | 4.75 | 5.3 | Guide to Pharmacology |
β3 | ADRB3 | Rat | Adrenoceptors | A | pKi | 5.3 | 5.3 | 5.3 | Guide to Pharmacology |
β1 | ADRB1 | Mouse | Adrenoceptors | A | pKi | 6.66 | 6.66 | 6.66 | ChEMBL |
β2 | ADRB2 | Bovine | Adrenoceptors | A | pKd | 6.48 | 6.48 | 6.48 | ChEMBL |
β2 | ADRB2 | Bovine | Adrenoceptors | A | pKi | 6.96 | 6.96 | 6.96 | ChEMBL |
β1 | ADRB1 | Rat | Adrenoceptors | A | pKi | 6.17 | 6.79 | 7.1 | ChEMBL |
β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pKd | 7.6 | 7.67 | 7.75 | ChEMBL |
β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 4.73 | 4.73 | 4.73 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.8 | 6.25 | 6.71 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 5.54 | 5.54 | 5.54 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKd | 6.13 | 6.73 | 7.3 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 6.17 | 6.89 | 8.61 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 4.32 | 4.62 | 4.92 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.55 | 6.19 | 7.34 | PDSP Ki database |
β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pKi | 6.49 | 6.73 | 6.97 | PDSP Ki database |
β1 | H0W3H1 | Guinea pig | Adrenoceptors | A | pKi | 6.33 | 6.33 | 6.33 | PDSP Ki database |
α2A | ADA2A | Pig | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 6.65 | 6.65 | 6.65 | PDSP Ki database |
β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 5.8 | 5.8 | 5.8 | PDSP Ki database |
α2A | ADA2A | Mouse | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.31 | 8.31 | 8.31 | Drug Central |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
β3 | ADRB3 | Mouse | Adrenoceptors | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
β2 | ADRB2 | Bovine | Adrenoceptors | A | pKd | 8.19 | 8.19 | 8.19 | Drug Central |
β1 | ADRB1 | Mouse | Adrenoceptors | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
β2 | ADRB2 | Golden hamster | Adrenoceptors | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
β3 | ADRB3 | Rat | Adrenoceptors | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.33 | 5.33 | 5.33 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 8.6 | 8.6 | 8.6 | Guide to Pharmacology |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 8.2 | 8.2 | 8.2 | Guide to Pharmacology |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 7.4 | 7.4 | 7.4 | Guide to Pharmacology |
TAS2R42 | T2R42 | Human | Taste 2 | T2 | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
TAS2R45 | T2R45 | Human | Taste 2 | T2 | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
TAS2R60 | T2R60 | Human | Taste 2 | T2 | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
TAS2R20 | T2R20 | Human | Taste 2 | T2 | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
TAS2R40 | T2R40 | Human | Taste 2 | T2 | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
TAS2R3 | TA2R3 | Human | Taste 2 | T2 | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
TAS2R5 | TA2R5 | Human | Taste 2 | T2 | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
TAS2R30 | T2R30 | Human | Taste 2 | T2 | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
TAS2R50 | T2R50 | Human | Taste 2 | T2 | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
TAS2R4 | TA2R4 | Human | Taste 2 | T2 | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
TAS2R9 | TA2R9 | Human | Taste 2 | T2 | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
TAS2R38 | T2R38 | Human | Taste 2 | T2 | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
TAS2R10 | T2R10 | Human | Taste 2 | T2 | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
TAS2R41 | T2R41 | Human | Taste 2 | T2 | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
β2 | ADRB2 | Rat | Adrenoceptors | A | pIC50 | 10.0 | 10.0 | 10.0 | ChEMBL |
β2 | ADRB2 | Dog | Adrenoceptors | A | pIC50 | 6.0 | 8.67 | 10.0 | ChEMBL |
β3 | ADRB3 | Rat | Adrenoceptors | A | pEC50 | 7.06 | 7.47 | 7.89 | ChEMBL |
β1 | ADRB1 | Rat | Adrenoceptors | A | pIC50 | 6.22 | 7.25 | 8.28 | ChEMBL |
β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pEC50 | 7.24 | 7.56 | 8.1 | ChEMBL |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 6.0 | 7.82 | 9.01 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 7.0 | 8.8 | 10.08 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 6.48 | 6.48 | 6.48 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 6.0 | 8.16 | 10.26 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 6.61 | 6.61 | 6.61 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 8.05 | 8.05 | 8.05 | Drug Central |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 8.01 | 8.01 | 8.01 | Drug Central |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.07 | 8.07 | 8.07 | Drug Central |
TAS2R19 | T2R19 | Human | Taste 2 | T2 | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
TAS2R30 | T2R30 | Human | Taste 2 | T2 | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
TAS2R31 | T2R31 | Human | Taste 2 | T2 | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
TAS2R38 | T2R38 | Human | Taste 2 | T2 | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
TAS2R39 | T2R39 | Human | Taste 2 | T2 | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
TAS2R40 | T2R40 | Human | Taste 2 | T2 | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
TAS2R41 | T2R41 | Human | Taste 2 | T2 | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
TAS2R43 | T2R43 | Human | Taste 2 | T2 | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
TAS2R45 | T2R45 | Human | Taste 2 | T2 | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pEC50 | 8.12 | 8.12 | 8.12 | Drug Central |
β1 | ADRB1 | Rat | Adrenoceptors | A | pIC50 | 8.21 | 8.21 | 8.21 | Drug Central |
β2 | ADRB2 | Dog | Adrenoceptors | A | pIC50 | 8.22 | 8.22 | 8.22 | Drug Central |
TAS2R3 | TA2R3 | Human | Taste 2 | T2 | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
TAS2R4 | TA2R4 | Human | Taste 2 | T2 | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
TAS2R5 | TA2R5 | Human | Taste 2 | T2 | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
TAS2R7 | TA2R7 | Human | Taste 2 | T2 | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
TAS2R9 | TA2R9 | Human | Taste 2 | T2 | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
TAS2R10 | T2R10 | Human | Taste 2 | T2 | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
TAS2R13 | T2R13 | Human | Taste 2 | T2 | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
TAS2R14 | T2R14 | Human | Taste 2 | T2 | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
TAS2R16 | T2R16 | Human | Taste 2 | T2 | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
TAS2R20 | T2R20 | Human | Taste 2 | T2 | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
TAS2R42 | T2R42 | Human | Taste 2 | T2 | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
TAS2R50 | T2R50 | Human | Taste 2 | T2 | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
TAS2R60 | T2R60 | Human | Taste 2 | T2 | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
RXFP1 | RXFP1 | Human | Relaxin family peptide | A | Potency | 5.5 | 5.5 | 5.5 | ChEMBL |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 6.4 | 6.4 | 6.4 | ChEMBL |
TAS2R1 | TA2R1 | Human | Taste 2 | T2 | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
TAS2R1 | TA2R1 | Human | Taste 2 | T2 | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
TAS2R7 | TA2R7 | Human | Taste 2 | T2 | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
TAS2R8 | TA2R8 | Human | Taste 2 | T2 | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
TAS2R8 | TA2R8 | Human | Taste 2 | T2 | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
TAS2R13 | T2R13 | Human | Taste 2 | T2 | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
TAS2R14 | T2R14 | Human | Taste 2 | T2 | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
TAS2R16 | T2R16 | Human | Taste 2 | T2 | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
TAS2R19 | T2R19 | Human | Taste 2 | T2 | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
TAS2R31 | T2R31 | Human | Taste 2 | T2 | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
TAS2R39 | T2R39 | Human | Taste 2 | T2 | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
TAS2R43 | T2R43 | Human | Taste 2 | T2 | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
TAS2R46 | T2R46 | Human | Taste 2 | T2 | pEC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
TAS2R46 | T2R46 | Human | Taste 2 | T2 | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
β1 | B0FL73 | Guinea pig | Adrenoceptors | A | pEC50 | 8.22 | 8.22 | 8.22 | ChEMBL |