| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 15 | Yes |
Popular Name: n-Acetyltryptamine n-Acetyltryptamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1016-47-3 , 374572-55-1 , N/A , [1016-47-3]
N-(2-(1H-Indol-3-yl)ethyl)acetamide
N-[2-(1H-Indol-3-yl)-ethyl]-acetamide
| 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) | 1.41 | 4.33 | -12.32 | 2 | 3 | 0 | 45 | 202.257 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| biological_source | Alkaloid from leaves of Prosopis nigra (Leguminosae) | ZereneX Building Blocks |
| biological_use | Antioxidant | IBScreen Bioactives |
| mechanism | Melatonin partial agonist (MT1/MT2) | IBScreen Bioactives IBScreen Bioactives |
| mechanism | MT3 antagonist | IBScreen Bioactives |
| biological_use | Regulator of triptamine-serotonine dependent disorders | IBScreen Bioactives IBScreen Bioactives |
| biological_use | Regulator of triptamine-serotonine dependent disorders; Antioxidant | ZereneX Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTR1A-1-E | Melatonin Receptor 1A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 701 | 0.57 | Binding ≤ 10μM |
| MTR1B-1-E | Melatonin Receptor 1B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 701 | 0.57 | Binding ≤ 10μM |
| MTR1C-1-E | Melatonin Receptor 1C (cluster #1 Of 1), Eukaryotic | Eukaryotes | 701 | 0.57 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTR1A_CHICK | P49285 | Melatonin Receptor 1A, Chick | 701 | 0.57 | Binding ≤ 1μM |
| MTR1B_CHICK | P51050 | Melatonin Receptor 1B, Chick | 701 | 0.57 | Binding ≤ 1μM |
| MTR1C_CHICK | P49288 | Melatonin Receptor 1C, Chick | 701 | 0.57 | Binding ≤ 1μM |
| MTR1A_CHICK | P49285 | Melatonin Receptor 1A, Chick | 701 | 0.57 | Binding ≤ 10μM |
| MTR1B_CHICK | P51050 | Melatonin Receptor 1B, Chick | 701 | 0.57 | Binding ≤ 10μM |
| MTR1C_CHICK | P49288 | Melatonin Receptor 1C, Chick | 701 | 0.57 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events |
