3-hydroxyoctanoic acid
| SMILES | CCCCC[C@@H](CC(=O)O)O |
| InChIKey | NDPLAKGOSZHTPH-ZETCQYMHSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 160.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Endogenous |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 9.5 | 9.5 | 9.5 | Guide to Pharmacology |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 9.4 | 9.4 | 9.4 | Guide to Pharmacology |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.3 | 6.55 | 6.8 | Guide to Pharmacology |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.0 | 8.1 | 8.2 | Guide to Pharmacology |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.5 | 6.5 | 6.5 | Guide to Pharmacology |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.4 | 6.4 | 6.4 | Guide to Pharmacology |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.0 | 8.3 | 8.6 | Guide to Pharmacology |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.7 | 6.7 | 6.7 | Guide to Pharmacology |
| α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 6.2 | 6.2 | 6.2 | Guide to Pharmacology |
| α2A | ADA2A | Pig | Adrenoceptors | A | pKi | 7.68 | 7.68 | 7.68 | ChEMBL |
| α2A | ADA2A | Bovine | Adrenoceptors | A | pKi | 8.82 | 8.82 | 8.82 | ChEMBL |
| α1B | ADA1B | Golden hamster | Adrenoceptors | A | pKi | 6.69 | 6.69 | 6.69 | ChEMBL |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 7.88 | 7.88 | 7.88 | ChEMBL |
| α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 6.48 | 6.48 | 6.48 | ChEMBL |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 9.04 | 9.04 | 9.04 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 6.16 | 6.16 | 6.16 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 9.52 | 9.52 | 9.52 | ChEMBL |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 9.4 | 9.4 | 9.4 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.08 | 6.08 | 6.08 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.27 | 5.75 | 6.24 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 7.8 | 7.99 | 8.19 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.42 | 7.74 | 9.0 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 5.85 | 5.86 | 5.87 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.02 | 6.02 | 6.02 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.79 | 8.51 | 9.54 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.34 | 6.34 | 6.34 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.71 | 5.71 | 5.71 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.49 | 8.49 | 8.49 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.11 | 6.11 | 6.11 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.52 | 6.52 | 6.52 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.43 | 6.43 | 6.43 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 9.59 | 9.59 | 9.59 | PDSP Ki database |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 8.6 | 8.93 | 9.09 | PDSP Ki database |
| 5-HT1D | 5HT1D | Rat | 5-Hydroxytryptamine | A | pKi | 8.89 | 8.89 | 8.89 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.59 | 6.59 | 6.59 | PDSP Ki database |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.83 | 6.83 | 6.83 | PDSP Ki database |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.92 | 6.92 | 6.92 | PDSP Ki database |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.62 | 7.18 | 7.51 | PDSP Ki database |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.01 | 8.58 | 9.1 | PDSP Ki database |
| α2C | ADA2C | North American opossum | Adrenoceptors | A | pKi | 7.14 | 7.14 | 7.14 | PDSP Ki database |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.53 | 6.02 | 6.67 | PDSP Ki database |
| α2B | ADA2B | Rat | Adrenoceptors | A | pKi | 6.51 | 6.83 | 7.15 | PDSP Ki database |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.42 | 6.42 | 6.42 | PDSP Ki database |
| α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 5.67 | 5.67 | 5.67 | PDSP Ki database |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 6.38 | 6.38 | 6.38 | PDSP Ki database |
| α2A | ADA2A | Pig | Adrenoceptors | A | pKi | 7.45 | 7.97 | 8.5 | PDSP Ki database |
| α1B | A0A4X1U0M4 | Pig | Adrenoceptors | A | pKi | 6.8 | 6.8 | 6.8 | PDSP Ki database |
| α1A | Q9TSW7 | Pig | Adrenoceptors | A | pKi | 7.5 | 7.6 | 7.7 | PDSP Ki database |
| α2A | ADA2A | Mouse | Adrenoceptors | A | pKi | 7.59 | 7.7 | 7.81 | PDSP Ki database |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.02 | 8.02 | 8.02 | Drug Central |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| α2A | ADA2A | Bovine | Adrenoceptors | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| α1B | ADA1B | Golden hamster | Adrenoceptors | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.02 | 8.02 | 8.02 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.5 | 5.85 | 6.2 | Guide to Pharmacology |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 6.08 | 6.08 | 6.08 | PDSP Ki database |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 6.19 | 6.19 | 6.19 | PDSP Ki database |
| α2A | ADA2A | Pig | Adrenoceptors | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1D | ADA1D | Rat | Adrenoceptors | A | pEC50 | 5.08 | 5.08 | 5.08 | ChEMBL |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.7 | 8.7 | 8.7 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pEC50 | 6.47 | 6.47 | 6.47 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 5.91 | 5.91 | 5.91 | ChEMBL |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pEC50 | 6.86 | 6.86 | 6.86 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 5.89 | 5.89 | 5.89 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pEC50 | 6.54 | 6.54 | 6.54 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 7.42 | 7.42 | 7.42 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.9 | 5.08 | 5.25 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 5.58 | 5.58 | 5.58 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pEC50 | 6.46 | 7.39 | 7.7 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 5.55 | 5.55 | 5.55 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.88 | 5.88 | 5.88 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 8.48 | 8.48 | 8.48 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 7.64 | 7.64 | 7.64 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.49 | 5.49 | 5.49 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 5.51 | 5.51 | 5.51 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.25 | 8.25 | 8.25 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 5.78 | 5.78 | 5.78 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 6.24 | 6.24 | 6.24 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.89 | 5.89 | 5.89 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.4 | 4.45 | 4.5 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.08 | 8.08 | 8.08 | Drug Central |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 7.16 | 7.16 | 7.16 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.4 | 5.4 | 5.4 | ChEMBL |