abscisic acid
| SMILES | OC(=O)/C=C(\C=C\C1(O)C(=CC(=O)CC1(C)C)C)/C |
| InChIKey | JLIDBLDQVAYHNE-LXGGSRJLSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 264.1 |
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 |
| A1 | AA1R | Chicken | Adenosine | A | pKi | 7.17 | 7.17 | 7.17 | PDSP Ki database |
| A1 | AA1R | Human | Adenosine | A | pKi | 7.4 | 7.4 | 7.4 | PDSP Ki database |
| A3 | AA3R | Human | Adenosine | A | pKi | 6.77 | 6.77 | 6.77 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| TAS2R4 | TA2R4 | Human | Taste 2 | T2 | pIC50 | 4.46 | 4.46 | 4.46 | Guide to Pharmacology |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 7.5 | 7.5 | 7.5 | ChEMBL |