| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 17 | Yes |
Popular Name: N-(2-(7-Hydroxynaphthalen-1-yl)ethyl)acetamide N-(2-(7-Hydroxynaphthalen-1-yl)e…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 152302-45-9 , [152302-45-9]
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.92 | 3.55 | -11.93 | 2 | 3 | 0 | 49 | 229.279 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTR1A-1-E | Melatonin Receptor 1A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 243 | 0.54 | Binding ≤ 10μM |
| MTR1B-1-E | Melatonin Receptor 1B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 243 | 0.54 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTR1A_HUMAN | P48039 | Melatonin Receptor 1A, Human | 0.1 | 0.82 | Binding ≤ 1μM |
| MTR1B_HUMAN | P49286 | Melatonin Receptor 1B, Human | 0.1 | 0.82 | Binding ≤ 1μM |
| MTR1A_HUMAN | P48039 | Melatonin Receptor 1A, Human | 0.1 | 0.82 | Binding ≤ 10μM |
| MTR1B_HUMAN | P49286 | Melatonin Receptor 1B, Human | 0.1 | 0.82 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events |
No pre-computed analogs available. Try a structural similarity search.