BUTACLAMOL
SMILES | CC(C)(C)C1(CCN2CC3C4=CC=CC=C4CCC5=C3C(=CC=C5)C2C1)O |
InChIKey | ZZJYIKPMDIWRSN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 0 |
Molecular weight (Da) | 361.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.52 | 6.81 | 8.18 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 9.4 | 9.4 | 9.4 | PDSP Ki database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.54 | 5.88 | PDSP Ki database |
5-HT2B | F6QI78 | Bovine | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.05 | 7.05 | 7.05 | PDSP Ki database |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.38 | 7.38 | 7.38 | PDSP Ki database |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.28 | 7.28 | 7.28 | PDSP Ki database |
α2B | ADA2B | Rat | Adrenoceptors | A | pKi | 7.92 | 7.92 | 7.92 | PDSP Ki database |
5-HT7 | 5HT7R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 6.06 | 6.39 | 6.72 | PDSP Ki database |
5-HT6 | 5HT6R | Mouse | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.0 | 7.59 | 9.8 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.0 | 7.86 | 8.8 | PDSP Ki database |
H1 | HRH1 | Human | Histamine | A | pKi | 6.41 | 6.41 | 6.41 | PDSP Ki database |
D2 | DRD2 | Bovine | Dopamine | A | pKi | 5.0 | 5.58 | 6.15 | PDSP Ki database |
D2 | DRD2 | Rat | Dopamine | A | pKi | 5.0 | 5.89 | 8.51 | PDSP Ki database |
D1 | DRD1 | Bovine | Dopamine | A | pKi | 5.0 | 5.25 | 5.49 | PDSP Ki database |
5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 5.41 | 5.41 | 5.41 | PDSP Ki database |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.22 | 6.5 | 6.79 | PDSP Ki database |
D2 | DRD2 | Mouse | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D1 | DRD1 | Mouse | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D1 | DRD1 | Rat | Dopamine | A | pKi | 5.05 | 5.05 | 5.05 | PDSP Ki database |
D1 | DRD1 | Rhesus macaque | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |