milameline
SMILES | CO/N=C/C1=CCCN(C1)C |
InChIKey | YMMXHEYLRHNXAB-RMKNXTFCSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 2 |
Molecular weight (Da) | 154.1 |
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 |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.4 | 5.4 | 5.4 | Guide to Pharmacology |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.6 | 6.6 | 6.6 | Guide to Pharmacology |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.2 | 6.2 | 6.2 | Guide to Pharmacology |
MT2 | MTR1B | Human | Melatonin | A | pKi | 9.9 | 10.2 | 10.5 | Guide to Pharmacology |
MT2 | MTR1B | Human | Melatonin | A | pKi | 9.35 | 9.63 | 10.0 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pKi | 9.74 | 9.99 | 10.22 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pKi | 9.07 | 9.54 | 10.4 | PDSP Ki database |
MT2 | MTR1B | Human | Melatonin | A | pKi | 9.57 | 9.99 | 10.52 | PDSP Ki database |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.59 | 6.59 | 6.59 | PDSP Ki database |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.15 | 6.15 | 6.15 | PDSP Ki database |
5-HT2C | 5HT2C | Dog | 5-Hydroxytryptamine | A | pKi | 6.39 | 6.39 | 6.39 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.35 | 5.35 | 5.35 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
MT2 | MTR1B | Human | Melatonin | A | pKi | 8.0 | 8.0 | 8.0 | Drug Central |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.15 | 6.16 | 6.2 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pKi | 7.99 | 7.99 | 7.99 | Drug Central |
MT1 | MTR1A | Human | Melatonin | A | pKi | 10.0 | 10.2 | 10.4 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MT2 | MTR1B | Human | Melatonin | A | pEC50 | 9.68 | 9.88 | 10.16 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pEC50 | 8.8 | 8.95 | 9.7 | ChEMBL |