SKF-38393
SMILES | Oc1cc2CCNCC(c2cc1O)c1ccccc1 |
InChIKey | JUDKOGFHZYMDMF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 3 |
Rotatable bonds | 1 |
Molecular weight (Da) | 255.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D5 | DRD5 | Human | Dopamine | A | pKi | 6.91 | 6.91 | 6.91 | ChEMBL |
D1 | DRD1 | Rat | Dopamine | A | pKi | 7.19 | 7.19 | 7.19 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.08 | 7.08 | 7.08 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 5.16 | 5.16 | 5.16 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKd | 4.34 | 4.5 | 4.75 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.41 | 7.14 | 8.96 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.06 | 5.93 | 6.8 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.0 | 5.17 | 5.33 | PDSP Ki database |
D1 | DRD1 | Rat | Dopamine | A | pKi | 7.19 | 7.86 | 9.52 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.51 | 5.51 | 5.51 | PDSP Ki database |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.01 | 6.69 | 7.25 | PDSP Ki database |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.2 | 6.5 | 6.8 | Guide to Pharmacology |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D5 | DRD5 | Human | Dopamine | A | pKi | 7.0 | 7.0 | 7.0 | PDSP Ki database |
D5 | DRD5 | Human | Dopamine | A | pKi | 7.0 | 7.0 | 7.0 | Guide to Pharmacology |
H1 | HRH1 | Human | Histamine | A | pKi | 5.6 | 5.6 | 5.6 | PDSP Ki database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.11 | 5.21 | PDSP Ki database |
D3 | DRD3 | Rat | Dopamine | A | pKi | 5.3 | 5.3 | 5.3 | PDSP Ki database |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D2 | DRD2 | Mouse | Dopamine | A | pKi | 5.03 | 5.03 | 5.03 | PDSP Ki database |
D1 | DRD1 | Bovine | Dopamine | A | pKi | 5.87 | 6.7 | 7.52 | PDSP Ki database |
D5 | DRD5 | Rat | Dopamine | A | pKi | 7.1 | 7.1 | 7.1 | PDSP Ki database |
D2 | DRD2 | Dog | Dopamine | A | pKi | 6.8 | 6.8 | 6.8 | PDSP Ki database |
D1 | DRD1 | Rhesus macaque | Dopamine | A | pKi | 6.97 | 6.97 | 6.97 | PDSP Ki database |
D2 | DRD2 | Rat | Dopamine | A | pKi | 5.0 | 5.15 | 5.79 | PDSP Ki database |
D1 | DRD1 | Mouse | Dopamine | A | pKi | 7.74 | 7.74 | 7.74 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Rat | Dopamine | A | pIC50 | 6.72 | 6.72 | 6.72 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 5.86 | 5.86 | 5.86 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pEC50 | 6.18 | 6.83 | 8.96 | ChEMBL |