| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 12 | Yes |
Popular Name: (S)-2-Amino-7-hydroxytetralin (S)-2-Amino-7-hydroxytetralin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 121216-41-9 , 41363-00-2 , 85951-60-6 , 942077-83-0 , [85951-60-6] , [942077-83-0]
(S)-2-Amino-7-hydroxytetralin, 97%
(S)-7-Amino-5,6,7,8-tetrahydronaphthalen-2-ol hydrochloride
7-Amino-5,6,7,8-tetrahydro-naphthalen-2-ol
7-Amino-5,6,7,8-tetrahydronaphthalen-2-ol
| 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) | 0.99 | 1.35 | -49.11 | 4 | 2 | 1 | 48 | 164.228 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 146.7 - 150.2 | Acros Organics |
| Purity | 95% | Fluorochem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P280: Wear protective gloves/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P341: IF INHALED: If breathing is difficult, remove to fresh air and keep at rest in a position comfortable for breathing; P30 | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5 | 0.97 | Binding ≤ 10μM |
| EPYC-1-E | Small Chondroitin/dermatan Sulfate Proteoglycan (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.99 | Binding ≤ 10μM |
| DRD2-2-E | Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic | Eukaryotes | 78 | 0.83 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 78 | 0.83 | Binding ≤ 1μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 5.12 | 0.97 | Binding ≤ 1μM |
| EPYC_HUMAN | Q99645 | Small Chondroitin/dermatan Sulfate Proteoglycan, Human | 3.3 | 0.99 | Binding ≤ 1μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 78 | 0.83 | Binding ≤ 10μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 5.12 | 0.97 | Binding ≤ 10μM |
| EPYC_HUMAN | Q99645 | Small Chondroitin/dermatan Sulfate Proteoglycan, Human | 3.3 | 0.99 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
No pre-computed analogs available. Try a structural similarity search.