iloperidone
SMILES | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C |
InChIKey | XMXHEBAFVSFQEX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 8 |
Molecular weight (Da) | 426.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP
| Uniprot
| Species
| Family
| Class
| Type
| Min | Avg | Max | Database
|
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.03 | 7.28 | 7.57 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.0 | 7.0 | 7.0 | Guide to Pharmacology |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.8 | 6.8 | 6.8 | Guide to Pharmacology |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 7.0 | 7.03 | 7.05 | PDSP Ki database |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 7.82 | 7.91 | 8.0 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.01 | 8.01 | 8.01 | Drug Central |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.25 | 9.39 | 9.96 | PDSP Ki database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 8.51 | 8.51 | 8.51 | PDSP Ki database |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.57 | 7.57 | 7.57 | PDSP Ki database |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.6 | 7.29 | 7.85 | PDSP Ki database |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 6.26 | 6.33 | 6.4 | PDSP Ki database |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.74 | 7.0 | 7.2 | PDSP Ki database |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.2 | 7.2 | 7.2 | Guide to Pharmacology |
5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 7.37 | 7.37 | 7.37 | PDSP Ki database |
5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 7.4 | 7.4 | 7.4 | Guide to Pharmacology |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.95 | 7.53 | 8.11 | PDSP Ki database |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.0 | 7.0 | 7.0 | Guide to Pharmacology |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.67 | 7.67 | 7.67 | PDSP Ki database |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.7 | 7.7 | 7.7 | Guide to Pharmacology |
A1 | AA1R | Human | Adenosine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
A3 | AA3R | Human | Adenosine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
CCK2 | GASR | Human | Cholecystokinin | A | pKi | 8.3 | 8.3 | 8.3 | Drug Central |
CCK2 | GASR | Human | Cholecystokinin | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D1 | DRD1 | Human | Dopamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.67 | 7.02 | 7.37 | PDSP Ki database |
D1 | DRD1 | Rat | Dopamine | A | pKi | 6.26 | 6.26 | 6.26 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.67 | 8.34 | 9.46 | PDSP Ki database |
D2 | DRD2 | Rat | Dopamine | A | pKi | 7.27 | 7.27 | 7.27 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.85 | 8.0 | 8.15 | PDSP Ki database |
D3 | DRD3 | Rat | Dopamine | A | pKi | 7.14 | 7.14 | 7.14 | PDSP Ki database |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.6 | 8.1 | 8.6 | PDSP Ki database |
D5 | DRD5 | Human | Dopamine | A | pKi | 6.5 | 6.5 | 6.5 | PDSP Ki database |
D5 | DRD5 | Human | Dopamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
H1 | HRH1 | Human | Histamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
H1 | HRH1 | Human | Histamine | A | pKi | 7.91 | 7.91 | 7.91 | PDSP Ki database |
H1 | HRH1 | Rat | Histamine | A | pKi | 6.36 | 6.36 | 6.36 | PDSP Ki database |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 5.31 | 5.31 | 5.31 | PDSP Ki database |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.48 | 5.48 | 5.48 | PDSP Ki database |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.29 | 8.29 | 8.29 | Drug Central |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 5.08 | 5.08 | 5.08 | PDSP Ki database |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
NK1 | NK1R | Human | Tachykinin | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
NK2 | NK2R | Human | Tachykinin | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
NK3 | NK3R | Human | Tachykinin | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.79 | 6.79 | 6.79 | PDSP Ki database |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.79 | 6.79 | 6.79 | PDSP Ki database |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.79 | 7.79 | 7.79 | PDSP Ki database |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
δ | OPRD | Human | Opioid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
κ | OPRK | Human | Opioid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
μ | OPRM | Human | Opioid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
Showing 1 to 73 of 73 entries
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP
| Uniprot
| Species
| Family
| Class
| Type
| Min | Avg | Max | Database
|
5-HT1A | 5HT1A | Mouse | 5-Hydroxytryptamine | A | pIC50 | 6.68 | 6.68 | 6.68 | ChEMBL |
5-HT1A | 5HT1A | Mouse | 5-Hydroxytryptamine | A | pIC50 | 8.18 | 8.18 | 8.18 | Drug Central |
5-HT2A | 5HT2A | Bovine | 5-Hydroxytryptamine | A | pIC50 | 8.05 | 8.05 | 8.05 | ChEMBL |
5-HT2A | 5HT2A | Bovine | 5-Hydroxytryptamine | A | pIC50 | 8.09 | 8.09 | 8.09 | Drug Central |
D1 | DRD1 | Mouse | Dopamine | A | pIC50 | 6.12 | 6.12 | 6.12 | ChEMBL |
D1 | DRD1 | Mouse | Dopamine | A | pIC50 | 8.21 | 8.21 | 8.21 | Drug Central |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 6.96 | 6.96 | 6.96 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pIC50 | 8.16 | 8.16 | 8.16 | Drug Central |
D2 | DRD2 | Rat | Dopamine | A | pIC50 | 6.96 | 6.96 | 6.96 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pIC50 | 6.96 | 6.96 | 6.96 | Guide to Pharmacology |
α2A | ADA2A | Rat | Adrenoceptors | A | pIC50 | 9.4 | 9.4 | 9.4 | ChEMBL |
α2A | ADA2A | Rat | Adrenoceptors | A | pIC50 | 8.03 | 8.03 | 8.03 | Drug Central |
Showing 1 to 12 of 12 entries