haloperidol
SMILES | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl |
InChIKey | LNEPOXFFQSENCJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 375.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A1 | AA1R | Human | Adenosine | A | pKi | 4.48 | 4.48 | 4.48 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 4.38 | 4.38 | 4.38 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 9.36 | 9.36 | 9.36 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 9.36 | 9.36 | 9.36 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Human | Adenosine | A | pEC50 | 6.82 | 6.82 | 6.82 | ChEMBL |